2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine

C11H12ClN3 — CID 14827778

IUPAC2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyDHGUFKPZDMQBED-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine

2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 14827778) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID14827778
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyDHGUFKPZDMQBED-UHFFFAOYSA-N
XLogP2.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine 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 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine (CID 14827778) is 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is DHGUFKPZDMQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15).
What are the key properties of 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 14827778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).