1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide

C15H11F2N3O — CID 142567283

IUPAC1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1ncn2Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-5-4-9(6-12(11)17)7-20-8-19-14-10(15(18)21)2-1-3-13(14)20/h1-6,8H,7H2,(H2,18,21)
InChIKeyBMMXFPFSLLCNSU-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.46
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide

1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide (PubChem CID 142567283) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
PubChem CID142567283
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1ncn2Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-5-4-9(6-12(11)17)7-20-8-19-14-10(15(18)21)2-1-3-13(14)20/h1-6,8H,7H2,(H2,18,21)
InChIKeyBMMXFPFSLLCNSU-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
CID 25256989
CID 25256989
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid
CID 134322867
1-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
3-[(3,4-difluorophenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 95920762
[4-[(4-amino-5-carbamoylbenzimidazol-1-yl)methyl]phenyl]-methylborinic acid
CID 174357988
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 114012086
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
CID 82925613
1-[(3,4-difluorophenyl)methyl]-2-(4-methoxy-2,5-dimethylanilino)-4-oxopyrimidine-5-carboxamide
CID 134291171
1-[(3-chloro-4-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919278

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide (CID 142567283) is 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide is NC(=O)c1cccc2c1ncn2Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide?
The InChIKey is BMMXFPFSLLCNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-11-5-4-9(6-12(11)17)7-20-8-19-14-10(15(18)21)2-1-3-13(14)20/h1-6,8H,7H2,(H2,18,21).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide?
1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 142567283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).