1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone

C15H17ClN2O — CID 135387786

IUPAC1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C)n1CCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-11-10-17-15(12(2)19)18(11)9-3-4-13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyCLSMTKFIQZGTDD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.68
Rot. Bonds5

About 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone

1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone (PubChem CID 135387786) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone
PubChem CID135387786
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C)n1CCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-11-10-17-15(12(2)19)18(11)9-3-4-13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyCLSMTKFIQZGTDD-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone 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-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone (CID 135387786) is 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone is CC(=O)c1ncc(C)n1CCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone?
The InChIKey is CLSMTKFIQZGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-10-17-15(12(2)19)18(11)9-3-4-13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone?
1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone has a molecular weight of 276.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenyl)propyl]-5-methylimidazol-2-yl]ethanone is sourced from PubChem (CID 135387786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).