N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C18H16N4O2 — CID 86867968

IUPACN-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCc1ccc(C#N)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-12-7-8-13(10-19)9-14(12)20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,11H2,1-2H3,(H,20,23)
InChIKeyHJLYEIZILPSYRC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.16
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 86867968) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID86867968
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCc1ccc(C#N)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-12-7-8-13(10-19)9-14(12)20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,11H2,1-2H3,(H,20,23)
InChIKeyHJLYEIZILPSYRC-UHFFFAOYSA-N
XLogP2.16
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
2-(4-aminopiperidin-1-yl)-N-(5-cyano-2-methylphenyl)acetamide
CID 79327658
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18141663
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55495817
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
N-(1H-indazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 71943300
3-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576424
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614233

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 86867968) is N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cc1ccc(C#N)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is HJLYEIZILPSYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-7-8-13(10-19)9-14(12)20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 86867968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).