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

2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
4-(1-cyclohexylbenzimidazol-2-yl)sulfanylbutanenitrile
CID 39951673
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
CID 63105437
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 174698682
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
CID 173243403

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).