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1,3-Dihydro-1-(4-Piperidinyl)-2H-Benzimidazol-2-One
CAS: 20662-53-7 | C12H15N3O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
20662-53-7
Molecular Formula:
C12H15N3O
Molecular Mass:
217.27 g/mol
Names and Synonyms:
1,3-Dihydro-1-(4-Piperidinyl)-2H-Benzimidazol-2-One
4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)piperidine
2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-piperidinyl)-
2-Benzimidazolinone, 1-(4-piperidyl)-
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
1-(4-Piperidinyl)-2-benzimidazolinone
1-(4-Piperidyl)-2-benzimidazolinone
1-(4-Piperidyl)-2-oxobenzimidazoline
4-(2-Oxo-1-benzimidazolinyl)piperidine
1-(4-Piperidinyl)-1H-benzimidazol-2(3H)-one
R 30507
4-(2-Oxo-1-benzimidazoly)piperidine
1-(4-Piperidinyl)-1,3-dihydrobenzimidazol-2-one
1-(4-Piperidinyl)-2-benzimidazolone
4-(2-Oxo-1-benzimidazolyl)piperidine
4-(2-Oxo-1,3-dihydro-2H-benzimidazol-1-yl)piperidine
1-(4-Piperidyl)-3-hydrobenzimidazol-2-one
4-(2-keto-1-Benzimidazolinyl)piperidine
1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one
4-(2,3-Dihydro-2-oxobenzimidazol-1-yl)piperidine
4-(2-Oxo-1,3-dihydrobenzimidazol-1-yl)piperidine
1-(Piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
1,3-Dihydro-1-(4-piperidinyl)benzimidazol-2-one
1-(Piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
1-(Piperidin-4-yl)-1H-1,3-benzodiazol-2-ol
1-Piperidin-4-yl-1H-benzoimidazol-2-ol
1-(Piperidin-4-yl)-1H-benzo[d]imidazol-2-ol
1-(Piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
3-Piperidin-4-yl-1H-benzimidazol-2-one
Identifiers:
SMILES:
Oc1nc2ccccc2n1C1CCNCC1
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)
Key Properties
Melting Point
178-180 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.27 g/mol | CAS Common Chemistry |
| 217.27199999999993 g/mol | RDKit | |
| 217.1215121 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 |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.080000000000005 Ų | RDKit |
| LogP | 1.6663999999999999 | RDKit |
| Molar Refractivity | 62.538500000000035 | RDKit |
