(1-benzyl-4-methylimidazol-2-yl)methanamine

C12H15N3 — CID 130214981

IUPAC(1-benzyl-4-methylimidazol-2-yl)methanamine
SMILESCc1cn(Cc2ccccc2)c(CN)n1
InChIInChI=1S/C12H15N3/c1-10-8-15(12(7-13)14-10)9-11-5-3-2-4-6-11/h2-6,8H,7,9,13H2,1H3
InChIKeyGLNLLUDWWAPMSC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds3

About (1-benzyl-4-methylimidazol-2-yl)methanamine

(1-benzyl-4-methylimidazol-2-yl)methanamine (PubChem CID 130214981) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1-benzyl-4-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-4-methylimidazol-2-yl)methanamine
PubChem CID130214981
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1-benzyl-4-methylimidazol-2-yl)methanamine
SMILESCc1cn(Cc2ccccc2)c(CN)n1
InChIInChI=1S/C12H15N3/c1-10-8-15(12(7-13)14-10)9-11-5-3-2-4-6-11/h2-6,8H,7,9,13H2,1H3
InChIKeyGLNLLUDWWAPMSC-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-4-methylimidazol-2-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-benzyl-4-ethyl-2-methylimidazole
CID 156528930
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
1-(1-benzyl-4-methylimidazol-2-yl)butane-1,3-dione
CID 175634443
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
(2-ethyl-4-methylimidazol-1-yl)methanamine
CID 141279094
1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106558883
1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(2-phenylethyl)imidazole
CID 86210837
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
1-benzyl-4-ethenyl-2-methylimidazole
CID 16665128
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylimidazol-2-yl)methanamine?
The IUPAC name of (1-benzyl-4-methylimidazol-2-yl)methanamine (CID 130214981) is (1-benzyl-4-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (1-benzyl-4-methylimidazol-2-yl)methanamine?
The canonical SMILES for (1-benzyl-4-methylimidazol-2-yl)methanamine is Cc1cn(Cc2ccccc2)c(CN)n1.
What is the InChIKey of (1-benzyl-4-methylimidazol-2-yl)methanamine?
The InChIKey is GLNLLUDWWAPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-8-15(12(7-13)14-10)9-11-5-3-2-4-6-11/h2-6,8H,7,9,13H2,1H3.
What are the key properties of (1-benzyl-4-methylimidazol-2-yl)methanamine?
(1-benzyl-4-methylimidazol-2-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 130214981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).