3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide

C20H19N3O2 — CID 30285225

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1
InChIInChI=1S/C20H19N3O2/c1-3-15-8-7-9-16(14-15)21-19(24)12-13-23-18-11-6-5-10-17(18)22(4-2)20(23)25/h1,5-11,14H,4,12-13H2,2H3,(H,21,24)
InChIKeyPMGKOCGSHBEWQM-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.83
Rot. Bonds5

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide (PubChem CID 30285225) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
PubChem CID30285225
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1
InChIInChI=1S/C20H19N3O2/c1-3-15-8-7-9-16(14-15)21-19(24)12-13-23-18-11-6-5-10-17(18)22(4-2)20(23)25/h1,5-11,14H,4,12-13H2,2H3,(H,21,24)
InChIKeyPMGKOCGSHBEWQM-UHFFFAOYSA-N
XLogP2.83
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-nitrophenyl)propanamide
CID 25299229
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55719879
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide (CID 30285225) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide is C#Cc1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide?
The InChIKey is PMGKOCGSHBEWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-15-8-7-9-16(14-15)21-19(24)12-13-23-18-11-6-5-10-17(18)22(4-2)20(23)25/h1,5-11,14H,4,12-13H2,2H3,(H,21,24).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide is sourced from PubChem (CID 30285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).