[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine

C11H12ClN3 — CID 82286802

IUPAC[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15-7-10(6-13)14-11(15)8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyHPHWNELYLNMLSW-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.20
Rot. Bonds2

About [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine

[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine (PubChem CID 82286802) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
PubChem CID82286802
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15-7-10(6-13)14-11(15)8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyHPHWNELYLNMLSW-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine 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-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine (CID 82286802) is [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine is Cn1cc(CN)nc1-c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine?
The InChIKey is HPHWNELYLNMLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-7-10(6-13)14-11(15)8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine?
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82286802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).