2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile

C16H11F2N3 — CID 82146203

IUPAC2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
SMILESCc1cccc(-c2nc3cc(F)c(F)cc3n2CC#N)c1
InChIInChI=1S/C16H11F2N3/c1-10-3-2-4-11(7-10)16-20-14-8-12(17)13(18)9-15(14)21(16)6-5-19/h2-4,7-9H,6H2,1H3
InChIKeyNLGBHBZVKPZOIF-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.81
Rot. Bonds2

About 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile

2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82146203) has the molecular formula C16H11F2N3 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
PubChem CID82146203
Molecular FormulaC16H11F2N3
Molecular Weight283.28 g/mol
Exact Mass283.09
IUPAC Name2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
SMILESCc1cccc(-c2nc3cc(F)c(F)cc3n2CC#N)c1
InChIInChI=1S/C16H11F2N3/c1-10-3-2-4-11(7-10)16-20-14-8-12(17)13(18)9-15(14)21(16)6-5-19/h2-4,7-9H,6H2,1H3
InChIKeyNLGBHBZVKPZOIF-UHFFFAOYSA-N
XLogP3.81
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluorophenyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 94748447
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
CID 39158040
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
4-[2-(3,4-difluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150475
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
2-[2-(3-amino-4-methylphenyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 94748514
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
CID 39151520

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile (CID 82146203) is 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile is Cc1cccc(-c2nc3cc(F)c(F)cc3n2CC#N)c1.
What is the InChIKey of 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is NLGBHBZVKPZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3/c1-10-3-2-4-11(7-10)16-20-14-8-12(17)13(18)9-15(14)21(16)6-5-19/h2-4,7-9H,6H2,1H3.
What are the key properties of 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile?
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 283.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82146203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).