1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine

C17H18ClN3 — CID 62508046

IUPAC1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3/c1-3-17-20-15-10-14(19)8-9-16(15)21(17)11(2)12-4-6-13(18)7-5-12/h4-11H,3,19H2,1-2H3
InChIKeyYNMMNNPHKKSXEX-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.44
Rot. Bonds3

About 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine

1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine (PubChem CID 62508046) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
PubChem CID62508046
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3/c1-3-17-20-15-10-14(19)8-9-16(15)21(17)11(2)12-4-6-13(18)7-5-12/h4-11H,3,19H2,1-2H3
InChIKeyYNMMNNPHKKSXEX-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-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-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine (CID 62508046) is 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine?
The InChIKey is YNMMNNPHKKSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-17-20-15-10-14(19)8-9-16(15)21(17)11(2)12-4-6-13(18)7-5-12/h4-11H,3,19H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine?
1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine has a molecular weight of 299.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 62508046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).