2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile

C14H7F2N3 — CID 79004256

IUPAC2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C14H7F2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19)
InChIKeyJVUYHUPOKIHEII-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.38
Rot. Bonds1

About 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile

2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004256) has the molecular formula C14H7F2N3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004256
Molecular FormulaC14H7F2N3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C14H7F2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19)
InChIKeyJVUYHUPOKIHEII-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile (CID 79004256) is 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is JVUYHUPOKIHEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile 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 2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).