1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine

C13H14ClN3 — CID 106554477

IUPAC1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(Cn2ccnc2NC2CC2)cc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16)
InChIKeyCKCPOAWARJZSOU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine (PubChem CID 106554477) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
PubChem CID106554477
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(Cn2ccnc2NC2CC2)cc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16)
InChIKeyCKCPOAWARJZSOU-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine 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 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine (CID 106554477) is 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine is Clc1ccc(Cn2ccnc2NC2CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The InChIKey is CKCPOAWARJZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).