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

C11H12ClN3 — CID 82286825

IUPAC[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8-14-10(6-13)7-15(8)11-4-2-3-9(12)5-11/h2-5,7H,6,13H2,1H3
InChIKeyAYXPSGSPIALNHH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.29
Rot. Bonds2

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

[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine (PubChem CID 82286825) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
PubChem CID82286825
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8-14-10(6-13)7-15(8)11-4-2-3-9(12)5-11/h2-5,7H,6,13H2,1H3
InChIKeyAYXPSGSPIALNHH-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorophenyl)-2-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

Related Compounds

[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286824
2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
CID 82285819
[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
CID 82288618
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
CID 82294718
1-(3-chlorophenyl)-2-methylpyrrole
CID 70286034
[1-(3-chlorophenyl)-5-methylimidazol-2-yl]methanamine
CID 83890397
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
CID 82301682
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
3-(2,4-dimethylimidazol-1-yl)aniline
CID 82512201
2-[1-(3-chlorophenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81335869
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine (CID 82286825) is [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine is Cc1nc(CN)cn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The InChIKey is AYXPSGSPIALNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-14-10(6-13)7-15(8)11-4-2-3-9(12)5-11/h2-5,7H,6,13H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82286825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).