2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile

C14H6F3N3 — CID 79004638

IUPAC2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3c(F)cc(F)cc3F)[nH]c2c1
InChIInChI=1S/C14H6F3N3/c15-8-4-9(16)13(10(17)5-8)14-19-11-2-1-7(6-18)3-12(11)20-14/h1-5H,(H,19,20)
InChIKeyBXMSZLJVUBUUPP-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.52
Rot. Bonds1

About 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile

2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004638) has the molecular formula C14H6F3N3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004638
Molecular FormulaC14H6F3N3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3c(F)cc(F)cc3F)[nH]c2c1
InChIInChI=1S/C14H6F3N3/c15-8-4-9(16)13(10(17)5-8)14-19-11-2-1-7(6-18)3-12(11)20-14/h1-5H,(H,19,20)
InChIKeyBXMSZLJVUBUUPP-UHFFFAOYSA-N
XLogP3.52
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-(2-bromo-5-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004192
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
CID 79631613
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183
2-(2,4,6-trifluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 65100267
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile (CID 79004638) is 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3c(F)cc(F)cc3F)[nH]c2c1.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is BXMSZLJVUBUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3N3/c15-8-4-9(16)13(10(17)5-8)14-19-11-2-1-7(6-18)3-12(11)20-14/h1-5H,(H,19,20).
What are the key properties of 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 273.22 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).