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

C13H16N4O3 — CID 51107465

IUPACN-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N4O3/c1-2-16-9-5-3-4-6-10(9)17(13(16)20)8-7-11(18)15-12(14)19/h3-6H,2,7-8H2,1H3,(H3,14,15,18,19)
InChIKeyFAVPDOVFEOXXMO-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.41
Rot. Bonds4

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

N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 51107465) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID51107465
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N4O3/c1-2-16-9-5-3-4-6-10(9)17(13(16)20)8-7-11(18)15-12(14)19/h3-6H,2,7-8H2,1H3,(H3,14,15,18,19)
InChIKeyFAVPDOVFEOXXMO-UHFFFAOYSA-N
XLogP0.41
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 51107465) is N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)NC(N)=O)c2ccccc21.
What is the InChIKey of N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is FAVPDOVFEOXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-16-9-5-3-4-6-10(9)17(13(16)20)8-7-11(18)15-12(14)19/h3-6H,2,7-8H2,1H3,(H3,14,15,18,19).
What are the key properties of N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 51107465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).