4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile

C14H7F2N3 — CID 81463475

IUPAC4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H7F2N3/c15-10-5-11(16)13-12(6-10)18-14(19-13)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19)
InChIKeyMCGKJHFKZBZNAO-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.38
Rot. Bonds1

About 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile

4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile (PubChem CID 81463475) has the molecular formula C14H7F2N3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
PubChem CID81463475
Molecular FormulaC14H7F2N3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H7F2N3/c15-10-5-11(16)13-12(6-10)18-14(19-13)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19)
InChIKeyMCGKJHFKZBZNAO-UHFFFAOYSA-N
XLogP3.38
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bendazol
CID 12132
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-tert-Butylbenzimidazole
CID 32366
Chlorfenazole
CID 77123
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
2-(difluoromethyl)-1H-1,3-benzodiazole
CID 597703

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile?
The IUPAC name of 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile (CID 81463475) is 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile?
The canonical SMILES for 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile is N#Cc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1.
What is the InChIKey of 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile?
The InChIKey is MCGKJHFKZBZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3/c15-10-5-11(16)13-12(6-10)18-14(19-13)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19).
What are the key properties of 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile?
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile has a molecular weight of 255.23 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile is sourced from PubChem (CID 81463475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).