N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide

C15H12FN3O — CID 110701119

IUPACN-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C15H12FN3O/c1-9-17-13-7-3-6-12(14(13)18-9)15(20)19-11-5-2-4-10(16)8-11/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyLWVRSAGCFUNCRW-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.26
Rot. Bonds2

About N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide

N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 110701119) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID110701119
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C15H12FN3O/c1-9-17-13-7-3-6-12(14(13)18-9)15(20)19-11-5-2-4-10(16)8-11/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyLWVRSAGCFUNCRW-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
CID 91761518
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68974180
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 60707578
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide (CID 110701119) is N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)Nc3cccc(F)c3)cccc2[nH]1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is LWVRSAGCFUNCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-17-13-7-3-6-12(14(13)18-9)15(20)19-11-5-2-4-10(16)8-11/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110701119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).