2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile

C15H15F2N3 — CID 82146172

IUPAC2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile
SMILESN#CCn1c(C2CCCCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H15F2N3/c16-11-8-13-14(9-12(11)17)20(7-6-18)15(19-13)10-4-2-1-3-5-10/h8-10H,1-5,7H2
InChIKeyKSTWXJMSKYTVSH-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.89
Rot. Bonds2

About 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile

2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile (PubChem CID 82146172) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile
PubChem CID82146172
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile
SMILESN#CCn1c(C2CCCCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H15F2N3/c16-11-8-13-14(9-12(11)17)20(7-6-18)15(19-13)10-4-2-1-3-5-10/h8-10H,1-5,7H2
InChIKeyKSTWXJMSKYTVSH-UHFFFAOYSA-N
XLogP3.89
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
CID 82149737
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143713
1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
CID 82146331
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
CID 82146203
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile?
The IUPAC name of 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile (CID 82146172) is 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile is N#CCn1c(C2CCCCC2)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile?
The InChIKey is KSTWXJMSKYTVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-11-8-13-14(9-12(11)17)20(7-6-18)15(19-13)10-4-2-1-3-5-10/h8-10H,1-5,7H2.
What are the key properties of 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile?
2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile has a molecular weight of 275.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile is sourced from PubChem (CID 82146172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).