N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide

C24H22N4O2 — CID 37067853

IUPACN-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C
InChIInChI=1S/C24H22N4O2/c1-15-20(26-17(3)29)10-7-11-21(15)27-24(30)18-12-13-23-22(14-18)25-16(2)28(23)19-8-5-4-6-9-19/h4-14H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXRAHBTTVTKPIKP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.85
Rot. Bonds4

About N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 37067853) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID37067853
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C
InChIInChI=1S/C24H22N4O2/c1-15-20(26-17(3)29)10-7-11-21(15)27-24(30)18-12-13-23-22(14-18)25-16(2)28(23)19-8-5-4-6-9-19/h4-14H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXRAHBTTVTKPIKP-UHFFFAOYSA-N
XLogP4.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide
CID 35984267
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 37067853) is N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is XRAHBTTVTKPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-20(26-17(3)29)10-7-11-21(15)27-24(30)18-12-13-23-22(14-18)25-16(2)28(23)19-8-5-4-6-9-19/h4-14H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 37067853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).