2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile

C15H17N3 — CID 63638067

IUPAC2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C15H17N3/c16-11-10-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2
InChIKeyFQAVXGXSRZZZSQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.61
Rot. Bonds2

About 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile

2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile (PubChem CID 63638067) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
PubChem CID63638067
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C15H17N3/c16-11-10-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2
InChIKeyFQAVXGXSRZZZSQ-UHFFFAOYSA-N
XLogP3.61
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Benzimidazole-2-methanamine
CID 145820
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1H-Benzimidazole-2-pentanamine
CID 162387
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
1-Phenyl-1H-benzoimidazole
CID 606669
Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
1H-Benzimidazole-2-acetonitrile
CID 20455
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
2-Amino-1-methylbenzimidazole
CID 74187
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453
1H-Benzimidazole-1-methanol
CID 146489

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile (CID 63638067) is 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile is N#CCc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile?
The InChIKey is FQAVXGXSRZZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-11-10-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2.
What are the key properties of 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile?
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 63638067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).