N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide

C16H13F2N3O — CID 110765870

IUPACN-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2n1C
InChIInChI=1S/C16H13F2N3O/c1-9-19-14-7-10(3-6-15(14)21(9)2)16(22)20-11-4-5-12(17)13(18)8-11/h3-8H,1-2H3,(H,20,22)
InChIKeyBKCJVCSUMXLEPC-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.41
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide

N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 110765870) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID110765870
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2n1C
InChIInChI=1S/C16H13F2N3O/c1-9-19-14-7-10(3-6-15(14)21(9)2)16(22)20-11-4-5-12(17)13(18)8-11/h3-8H,1-2H3,(H,20,22)
InChIKeyBKCJVCSUMXLEPC-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide (CID 110765870) is N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2n1C.
What is the InChIKey of N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is BKCJVCSUMXLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-9-19-14-7-10(3-6-15(14)21(9)2)16(22)20-11-4-5-12(17)13(18)8-11/h3-8H,1-2H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide?
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).