2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide

C24H22N4O3 — CID 55495817

IUPAC2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C24H22N4O3/c1-16-8-7-9-17(14-16)25-23(30)18-10-3-4-11-19(18)26-22(29)15-28-21-13-6-5-12-20(21)27(2)24(28)31/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyYNIVZXZPFGNZMZ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.54
Rot. Bonds5

About 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 55495817) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID55495817
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C24H22N4O3/c1-16-8-7-9-17(14-16)25-23(30)18-10-3-4-11-19(18)26-22(29)15-28-21-13-6-5-12-20(21)27(2)24(28)31/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyYNIVZXZPFGNZMZ-UHFFFAOYSA-N
XLogP3.54
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 9201030
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
CID 95619904
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55811206
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 40842843
ethyl 2-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]sulfanylacetate
CID 8594868
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
N-(3-methylphenyl)-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 34311901
N-(1H-indazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 71943300

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 55495817) is 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2c(=O)n(C)c3ccccc32)c1.
What is the InChIKey of 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is YNIVZXZPFGNZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-8-7-9-17(14-16)25-23(30)18-10-3-4-11-19(18)26-22(29)15-28-21-13-6-5-12-20(21)27(2)24(28)31/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 55495817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).