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Molecule

1,3-Dihydro-1-(4-Piperidinyl)-2H-Benzimidazol-2-One

CAS: 20662-53-7 · C12H15N3O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
20662-53-7
Molecular Formula
C12H15N3O
Molecular Mass
217.27 g/mol

Identifiers

CAS Registry Number

20662-53-7

SMILES

Oc1nc2ccccc2n1C1CCNCC1

InChI Key

BYNBAMHAURJNTR-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)

Names and Synonyms

  • 1,3-Dihydro-1-(4-Piperidinyl)-2H-Benzimidazol-2-One Synonym
  • 4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)piperidine Synonym
  • 2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-piperidinyl)- Synonym
  • 2-Benzimidazolinone, 1-(4-piperidyl)- Synonym
  • 1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one Synonym
  • 1-(4-Piperidinyl)-2-benzimidazolinone Synonym
  • 1-(4-Piperidyl)-2-benzimidazolinone Synonym
  • 1-(4-Piperidyl)-2-oxobenzimidazoline Synonym
  • 4-(2-Oxo-1-benzimidazolinyl)piperidine Synonym
  • 1-(4-Piperidinyl)-1H-benzimidazol-2(3H)-one Synonym
  • R 30507 Synonym
  • 4-(2-Oxo-1-benzimidazoly)piperidine Synonym
  • 1-(4-Piperidinyl)-1,3-dihydrobenzimidazol-2-one Synonym
  • 1-(4-Piperidinyl)-2-benzimidazolone Synonym
  • 4-(2-Oxo-1-benzimidazolyl)piperidine Synonym
  • 4-(2-Oxo-1,3-dihydro-2H-benzimidazol-1-yl)piperidine Synonym
  • 1-(4-Piperidyl)-3-hydrobenzimidazol-2-one Synonym
  • 4-(2-keto-1-Benzimidazolinyl)piperidine Synonym
  • 1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one Synonym
  • 4-(2,3-Dihydro-2-oxobenzimidazol-1-yl)piperidine Synonym
  • 4-(2-Oxo-1,3-dihydrobenzimidazol-1-yl)piperidine Synonym
  • 1-(Piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one Synonym
  • 1,3-Dihydro-1-(4-piperidinyl)benzimidazol-2-one Synonym
  • 1-(Piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Synonym
  • 1-(Piperidin-4-yl)-1H-1,3-benzodiazol-2-ol Synonym
  • 1-Piperidin-4-yl-1H-benzoimidazol-2-ol Synonym
  • 1-(Piperidin-4-yl)-1H-benzo[d]imidazol-2-ol Synonym
  • 1-(Piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one Synonym
  • 3-Piperidin-4-yl-1H-benzimidazol-2-one Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 217.27 g/mol CAS Common Chemistry
217.27199999999993 g/mol RDKit
217.272 g/mol RDKit
Canonical SMILES O=C1NC=2C=CC=CC2N1C3CCNCC3 CAS Common Chemistry
InChI InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16) CAS Common Chemistry
InChI Key InChIKey=BYNBAMHAURJNTR-UHFFFAOYSA-N CAS Common Chemistry
Melting Point 178-180 °C CAS Common Chemistry
Name 1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one CAS Common Chemistry
Heavy Atom Count 16 RDKit
Hydrogen Bond Acceptors 4 RDKit
3 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 1 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 50.080000000000005 Ų RDKit
50.08 Ų RDKit
47.63 Ų chempirical lib
LogP 1.6663999999999999 RDKit
1.6664 RDKit
Molar Refractivity 62.538500000000035 cm³/mol RDKit
Ring Count 3 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.4167 RDKit
0.42 chempirical lib
Exact Mass 217.1215121 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 217.27 g/mol. Edit any field — others recompute live.

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