1-[4-(4-chlorophenyl)butyl]imidazole

C13H15ClN2 — CID 25141505

IUPAC1-[4-(4-chlorophenyl)butyl]imidazole
SMILESClc1ccc(CCCCn2ccnc2)cc1
InChIInChI=1S/C13H15ClN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
InChIKeyRBTQGGJTFWBCHX-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.56
Rot. Bonds5

About 1-[4-(4-chlorophenyl)butyl]imidazole

1-[4-(4-chlorophenyl)butyl]imidazole (PubChem CID 25141505) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)butyl]imidazole
PubChem CID25141505
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-[4-(4-chlorophenyl)butyl]imidazole
SMILESClc1ccc(CCCCn2ccnc2)cc1
InChIInChI=1S/C13H15ClN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
InChIKeyRBTQGGJTFWBCHX-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(4-chlorophenyl)butyl]imidazole 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-(4-chlorophenyl)butyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)butyl]imidazole (CID 25141505) is 1-[4-(4-chlorophenyl)butyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)butyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)butyl]imidazole is Clc1ccc(CCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)butyl]imidazole?
The InChIKey is RBTQGGJTFWBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2.
What are the key properties of 1-[4-(4-chlorophenyl)butyl]imidazole?
1-[4-(4-chlorophenyl)butyl]imidazole has a molecular weight of 234.73 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)butyl]imidazole is sourced from PubChem (CID 25141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).