2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile

C15H9F2N3O — CID 104720431

IUPAC2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccccc3OC(F)F)nc12
InChIInChI=1S/C15H9F2N3O/c16-15(17)21-12-7-2-1-5-10(12)14-19-11-6-3-4-9(8-18)13(11)20-14/h1-7,15H,(H,19,20)
InChIKeyHXTRWTLYKSCNNS-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.70
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile

2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile (PubChem CID 104720431) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
PubChem CID104720431
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccccc3OC(F)F)nc12
InChIInChI=1S/C15H9F2N3O/c16-15(17)21-12-7-2-1-5-10(12)14-19-11-6-3-4-9(8-18)13(11)20-14/h1-7,15H,(H,19,20)
InChIKeyHXTRWTLYKSCNNS-UHFFFAOYSA-N
XLogP3.70
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-(5-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720685
2-(2-bromo-5-fluorophenyl)-1H-benzimidazole-4-carbonitrile
CID 104720565
2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720485
2-(2,5-dimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720542
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
CID 104720410
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720679
2-(3-propan-2-yloxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720433
8-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118824832

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile (CID 104720431) is 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3ccccc3OC(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile?
The InChIKey is HXTRWTLYKSCNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-15(17)21-12-7-2-1-5-10(12)14-19-11-6-3-4-9(8-18)13(11)20-14/h1-7,15H,(H,19,20).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile?
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile has a molecular weight of 285.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).