N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide

C23H21N3O2 — CID 24603426

IUPACN-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
SMILESCn1c(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-24-20-14-8-9-15-21(20)26(23(24)28)17-22(27)25(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3
InChIKeyMZQYBHYAFRHZAL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds5

About N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide

N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide (PubChem CID 24603426) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
PubChem CID24603426
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
SMILESCn1c(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-24-20-14-8-9-15-21(20)26(23(24)28)17-22(27)25(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3
InChIKeyMZQYBHYAFRHZAL-UHFFFAOYSA-N
XLogP3.57
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 18141597
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 24569507
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 41221076
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
1-(3,3-dimethyl-2-oxobutyl)-3-methylbenzimidazol-2-one
CID 60708777
N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47084127
ethyl 2-[(4-fluorophenyl)methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55508172

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide (CID 24603426) is N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide is Cn1c(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The InChIKey is MZQYBHYAFRHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-24-20-14-8-9-15-21(20)26(23(24)28)17-22(27)25(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 24603426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).