3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide

C18H26N4O3 — CID 55953573

IUPAC3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-3-11-19-16(23)9-12-20-17(24)10-13-22-15-8-6-5-7-14(15)21(4-2)18(22)25/h5-8H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMOLBCOLUHGHOSZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.25
Rot. Bonds9

About 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide

3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide (PubChem CID 55953573) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
PubChem CID55953573
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-3-11-19-16(23)9-12-20-17(24)10-13-22-15-8-6-5-7-14(15)21(4-2)18(22)25/h5-8H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMOLBCOLUHGHOSZ-UHFFFAOYSA-N
XLogP1.25
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 25296484
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55717025
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 18119091
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18161890
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 27781697

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide?
The IUPAC name of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide (CID 55953573) is 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)CCn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide?
The InChIKey is MOLBCOLUHGHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-11-19-16(23)9-12-20-17(24)10-13-22-15-8-6-5-7-14(15)21(4-2)18(22)25/h5-8H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide?
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide is sourced from PubChem (CID 55953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).