5-amino-3-ethyl-1-methylbenzimidazol-2-one

C10H13N3O — CID 162519843

IUPAC5-amino-3-ethyl-1-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(C)c2ccc(N)cc21
InChIInChI=1S/C10H13N3O/c1-3-13-9-6-7(11)4-5-8(9)12(2)10(13)14/h4-6H,3,11H2,1-2H3
InChIKeyFFYJPVGMJSVXBM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds1

About 5-amino-3-ethyl-1-methylbenzimidazol-2-one

5-amino-3-ethyl-1-methylbenzimidazol-2-one (PubChem CID 162519843) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-1-methylbenzimidazol-2-one
PubChem CID162519843
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-amino-3-ethyl-1-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(C)c2ccc(N)cc21
InChIInChI=1S/C10H13N3O/c1-3-13-9-6-7(11)4-5-8(9)12(2)10(13)14/h4-6H,3,11H2,1-2H3
InChIKeyFFYJPVGMJSVXBM-UHFFFAOYSA-N
XLogP0.94
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-ethyl-1-methylbenzimidazol-2-one 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 5-amino-3-ethyl-1-methylbenzimidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-1-methylbenzimidazol-2-one (CID 162519843) is 5-amino-3-ethyl-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-1-methylbenzimidazol-2-one is CCn1c(=O)n(C)c2ccc(N)cc21.
What is the InChIKey of 5-amino-3-ethyl-1-methylbenzimidazol-2-one?
The InChIKey is FFYJPVGMJSVXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-13-9-6-7(11)4-5-8(9)12(2)10(13)14/h4-6H,3,11H2,1-2H3.
What are the key properties of 5-amino-3-ethyl-1-methylbenzimidazol-2-one?
5-amino-3-ethyl-1-methylbenzimidazol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-methylbenzimidazol-2-one is sourced from PubChem (CID 162519843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).