3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide

C19H21N3O2 — CID 16590260

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)n(CCC(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-21-16-9-5-6-10-17(16)22(19(21)24)14-12-18(23)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyLLLHKLZPDSIHBK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.09
Rot. Bonds6

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide (PubChem CID 16590260) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
PubChem CID16590260
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)n(CCC(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-21-16-9-5-6-10-17(16)22(19(21)24)14-12-18(23)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyLLLHKLZPDSIHBK-UHFFFAOYSA-N
XLogP2.09
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592921
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55506945
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
CID 110396269
methyl (2S)-2-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 18142239
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide (CID 16590260) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide is Cn1c(=O)n(CCC(=O)NCCc2ccccc2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is LLLHKLZPDSIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-16-9-5-6-10-17(16)22(19(21)24)14-12-18(23)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 16590260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).