chempirical

2-Pentyl-1H-benzimidazole

C12H16N2CAS 5851-46-7188.27 g/mol

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Properties

Molecular formula
C12H16N2
Molar mass
188.27 g/mol
Exact mass
188.1313 Da
Melting point
155–156 °C
Boiling point
250 °C
logP
3.30Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
5851-46-7
SMILES
CCCCCc1nc2ccccc2[nH]1
InChIKey
OYGJENONTDCXGW-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)

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Names and synonyms

6 names
  • 1H-Benzimidazole, 2-pentyl-
  • Benzimidazole, 2-pentyl-
  • 2-Pentylbenzimidazole
  • 2-Amylbenzimidazole
  • 2-Pentyl-1H-benzo[d]imidazole
  • 2-Pentyl-1H-1,3-benzodiazole

Work with 2-Pentyl-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Propyl-1H-benzimidazole5465-29-277 % similar 1H-Benzimidazole-2-propanol2403-66-963 % similar 2-Ethylbenzimidazole1848-84-661 % similar 1H-Benzimidazole-2-methanol4856-97-751 % similar 2-(Chloromethyl)benzimidazole4857-04-951 % similar Dibazole621-72-750 % similar 1H-Benzimidazole-2-propanoic acid23249-97-049 % similar 1H-Benzimidazole-2-acetonitrile4414-88-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-[Ethyl(3-methylphenyl)amino]propanenitrile148-69-6

Elsewhere

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