1-ethylbenzimidazol-2-amine

C9H11N3 — CID 595193

IUPAC1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2ccccc21
InChIInChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyAQOCOHSUICOLQL-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.64
Rot. Bonds1

About 1-ethylbenzimidazol-2-amine

1-ethylbenzimidazol-2-amine (PubChem CID 595193) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-ethylbenzimidazol-2-amine
PubChem CID595193
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2ccccc21
InChIInChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyAQOCOHSUICOLQL-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylbenzimidazol-2-amine 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 1-ethylbenzimidazol-2-amine?
The IUPAC name of 1-ethylbenzimidazol-2-amine (CID 595193) is 1-ethylbenzimidazol-2-amine.
What is the SMILES notation for 1-ethylbenzimidazol-2-amine?
The canonical SMILES for 1-ethylbenzimidazol-2-amine is CCn1c(N)nc2ccccc21.
What is the InChIKey of 1-ethylbenzimidazol-2-amine?
The InChIKey is AQOCOHSUICOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11).
What are the key properties of 1-ethylbenzimidazol-2-amine?
1-ethylbenzimidazol-2-amine has a molecular weight of 161.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 595193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).