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

C17H13BrCl2N2 — CID 82561862

IUPAC2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H13BrCl2N2/c18-14-4-1-12(2-5-14)10-17-21-7-8-22(17)11-13-3-6-15(19)16(20)9-13/h1-9H,10-11H2
InChIKeyJGDCQUNEBCZIRM-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.59
Rot. Bonds4

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

2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole (PubChem CID 82561862) has the molecular formula C17H13BrCl2N2 and a molecular weight of 396.12 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
PubChem CID82561862
Molecular FormulaC17H13BrCl2N2
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H13BrCl2N2/c18-14-4-1-12(2-5-14)10-17-21-7-8-22(17)11-13-3-6-15(19)16(20)9-13/h1-9H,10-11H2
InChIKeyJGDCQUNEBCZIRM-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 2-[(4-bromophenyl)methyl]-1-[(3,4-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

Related Compounds

1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
CID 82561825
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561954

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole (CID 82561862) is 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole is Clc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole?
The InChIKey is JGDCQUNEBCZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2/c18-14-4-1-12(2-5-14)10-17-21-7-8-22(17)11-13-3-6-15(19)16(20)9-13/h1-9H,10-11H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole?
2-[(4-bromophenyl)methyl]-1-[(3,4-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 2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 82561862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).