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

C13H14ClN3 — CID 82373865

IUPAC[2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]c(-c2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C13H14ClN3/c14-10-5-3-9(4-6-10)13-16-11(7-15)12(17-13)8-1-2-8/h3-6,8H,1-2,7,15H2,(H,16,17)
InChIKeyYKNSKQSIOREXLS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.07
Rot. Bonds3

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

[2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine (PubChem CID 82373865) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine
PubChem CID82373865
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name[2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]c(-c2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C13H14ClN3/c14-10-5-3-9(4-6-10)13-16-11(7-15)12(17-13)8-1-2-8/h3-6,8H,1-2,7,15H2,(H,16,17)
InChIKeyYKNSKQSIOREXLS-UHFFFAOYSA-N
XLogP3.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(4-chlorophenyl)-4-cyclopropyl-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

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine (CID 82373865) is [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine is NCc1[nH]c(-c2ccc(Cl)cc2)nc1C1CC1.
What is the InChIKey of [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine?
The InChIKey is YKNSKQSIOREXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-5-3-9(4-6-10)13-16-11(7-15)12(17-13)8-1-2-8/h3-6,8H,1-2,7,15H2,(H,16,17).
What are the key properties of [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine?
[2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine has a molecular weight of 247.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-cyclopropyl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82373865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).