1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone

C17H12Cl2N2O — CID 57320594

IUPAC1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2
InChIKeyKERHCFUWWQZAQX-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.74
Rot. Bonds4

About 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone

1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone (PubChem CID 57320594) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
PubChem CID57320594
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2
InChIKeyKERHCFUWWQZAQX-UHFFFAOYSA-N
XLogP4.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone 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-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone (CID 57320594) is 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The InChIKey is KERHCFUWWQZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone has a molecular weight of 331.20 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 57320594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).