2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile

C15H9F2N3 — CID 104720614

IUPAC2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(Cc3cccc(F)c3F)nc12
InChIInChI=1S/C15H9F2N3/c16-11-5-1-3-9(14(11)17)7-13-19-12-6-2-4-10(8-18)15(12)20-13/h1-6H,7H2,(H,19,20)
InChIKeyFWTPZKVRAQZGDW-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.30
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile

2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile (PubChem CID 104720614) has the molecular formula C15H9F2N3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
PubChem CID104720614
Molecular FormulaC15H9F2N3
Molecular Weight269.25 g/mol
Exact Mass269.08
IUPAC Name2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(Cc3cccc(F)c3F)nc12
InChIInChI=1S/C15H9F2N3/c16-11-5-1-3-9(14(11)17)7-13-19-12-6-2-4-10(8-18)15(12)20-13/h1-6H,7H2,(H,19,20)
InChIKeyFWTPZKVRAQZGDW-UHFFFAOYSA-N
XLogP3.30
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720469
2-[(3-bromophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720693
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
CID 104720448
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
2-(3-methoxybutyl)-1H-benzimidazole-4-carbonitrile
CID 104720707
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
CID 84618582
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358
2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile (CID 104720614) is 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(Cc3cccc(F)c3F)nc12.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The InChIKey is FWTPZKVRAQZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3/c16-11-5-1-3-9(14(11)17)7-13-19-12-6-2-4-10(8-18)15(12)20-13/h1-6H,7H2,(H,19,20).
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile has a molecular weight of 269.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).