1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole

C17H13BrCl2N2 — CID 82561962

IUPAC1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
SMILESClc1cc(Cl)cc(Cc2nccn2Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H13BrCl2N2/c18-14-3-1-12(2-4-14)11-22-6-5-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2
InChIKeyVBHOPTJIYJPJGN-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.59
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole

1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole (PubChem CID 82561962) has the molecular formula C17H13BrCl2N2 and a molecular weight of 396.12 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
PubChem CID82561962
Molecular FormulaC17H13BrCl2N2
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
SMILESClc1cc(Cl)cc(Cc2nccn2Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H13BrCl2N2/c18-14-3-1-12(2-4-14)11-22-6-5-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2
InChIKeyVBHOPTJIYJPJGN-UHFFFAOYSA-N
XLogP5.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]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-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole (CID 82561962) is 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole is Clc1cc(Cl)cc(Cc2nccn2Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The InChIKey is VBHOPTJIYJPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2/c18-14-3-1-12(2-4-14)11-22-6-5-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole has a molecular weight of 396.12 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 82561962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).