3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

C16H13F2N3O — CID 141300456

IUPAC3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCNC(=O)c1cc(F)c(-c2nc3ccc(C)cc3[nH]2)c(F)c1
InChIInChI=1S/C16H13F2N3O/c1-8-3-4-12-13(5-8)21-15(20-12)14-10(17)6-9(7-11(14)18)16(22)19-2/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyPHDGGTIRJJJAIC-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.18
Rot. Bonds2

About 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 141300456) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID141300456
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCNC(=O)c1cc(F)c(-c2nc3ccc(C)cc3[nH]2)c(F)c1
InChIInChI=1S/C16H13F2N3O/c1-8-3-4-12-13(5-8)21-15(20-12)14-10(17)6-9(7-11(14)18)16(22)19-2/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyPHDGGTIRJJJAIC-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
CID 11356474
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide
CID 134387910
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 141300456) is 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is CNC(=O)c1cc(F)c(-c2nc3ccc(C)cc3[nH]2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is PHDGGTIRJJJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-8-3-4-12-13(5-8)21-15(20-12)14-10(17)6-9(7-11(14)18)16(22)19-2/h3-7H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 301.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 141300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).