N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C19H21N3O2 — CID 16591399

IUPACN-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-3-14-8-10-15(11-9-14)20-18(23)12-13-22-17-7-5-4-6-16(17)21(2)19(22)24/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyFIBYUZMLEZGQSH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds5

About N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16591399) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16591399
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-3-14-8-10-15(11-9-14)20-18(23)12-13-22-17-7-5-4-6-16(17)21(2)19(22)24/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyFIBYUZMLEZGQSH-UHFFFAOYSA-N
XLogP2.93
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16591097
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602721
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16591399) is N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CCc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is FIBYUZMLEZGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14-8-10-15(11-9-14)20-18(23)12-13-22-17-7-5-4-6-16(17)21(2)19(22)24/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16591399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).