7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide

C10H15N3O2 — CID 71018959

IUPAC7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide
SMILESCCC1CCC(C(N)=O)c2[nH]c(=O)[nH]c21
InChIInChI=1S/C10H15N3O2/c1-2-5-3-4-6(9(11)14)8-7(5)12-10(15)13-8/h5-6H,2-4H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyUSXYDYGBAOVFCZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.56
Rot. Bonds2

About 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide

7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide (PubChem CID 71018959) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide
PubChem CID71018959
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide
SMILESCCC1CCC(C(N)=O)c2[nH]c(=O)[nH]c21
InChIInChI=1S/C10H15N3O2/c1-2-5-3-4-6(9(11)14)8-7(5)12-10(15)13-8/h5-6H,2-4H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyUSXYDYGBAOVFCZ-UHFFFAOYSA-N
XLogP0.56
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide?
The IUPAC name of 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide (CID 71018959) is 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide?
The canonical SMILES for 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide is CCC1CCC(C(N)=O)c2[nH]c(=O)[nH]c21.
What is the InChIKey of 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide?
The InChIKey is USXYDYGBAOVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-5-3-4-6(9(11)14)8-7(5)12-10(15)13-8/h5-6H,2-4H2,1H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide?
7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 71018959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).