[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine

C13H16ClN3 — CID 82373846

IUPAC[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine
SMILESCC(C)c1nc(-c2ccccc2Cl)[nH]c1CN
InChIInChI=1S/C13H16ClN3/c1-8(2)12-11(7-15)16-13(17-12)9-5-3-4-6-10(9)14/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeySCTMJODOWVAJNH-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.31
Rot. Bonds3

About [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine

[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine (PubChem CID 82373846) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine
PubChem CID82373846
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine
SMILESCC(C)c1nc(-c2ccccc2Cl)[nH]c1CN
InChIInChI=1S/C13H16ClN3/c1-8(2)12-11(7-15)16-13(17-12)9-5-3-4-6-10(9)14/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeySCTMJODOWVAJNH-UHFFFAOYSA-N
XLogP3.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-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

5-bromo-2-(2-chlorophenyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106479966
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 43445072
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292208
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373683
2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 55113438
6-(2-chlorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515442
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749359
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine (CID 82373846) is [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine is CC(C)c1nc(-c2ccccc2Cl)[nH]c1CN.
What is the InChIKey of [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine?
The InChIKey is SCTMJODOWVAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(2)12-11(7-15)16-13(17-12)9-5-3-4-6-10(9)14/h3-6,8H,7,15H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine?
[2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine has a molecular weight of 249.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-4-propan-2-yl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82373846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).