2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole

C17H12BrCl3N2 — CID 68564498

IUPAC2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)c(Br)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12BrCl3N2/c1-9-17(11-3-5-14(20)15(21)8-11)23-16(22-9)7-10-2-4-13(19)12(18)6-10/h2-6,8H,7H2,1H3,(H,22,23)
InChIKeyVEVGSDLTNOLVHO-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.70
Rot. Bonds3

About 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole

2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole (PubChem CID 68564498) has the molecular formula C17H12BrCl3N2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole
PubChem CID68564498
Molecular FormulaC17H12BrCl3N2
Molecular Weight430.56 g/mol
Exact Mass427.92
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)c(Br)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12BrCl3N2/c1-9-17(11-3-5-14(20)15(21)8-11)23-16(22-9)7-10-2-4-13(19)12(18)6-10/h2-6,8H,7H2,1H3,(H,22,23)
InChIKeyVEVGSDLTNOLVHO-UHFFFAOYSA-N
XLogP6.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-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 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole (CID 68564498) is 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole is Cc1[nH]c(Cc2ccc(Cl)c(Br)c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole?
The InChIKey is VEVGSDLTNOLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl3N2/c1-9-17(11-3-5-14(20)15(21)8-11)23-16(22-9)7-10-2-4-13(19)12(18)6-10/h2-6,8H,7H2,1H3,(H,22,23).
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole?
2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole has a molecular weight of 430.56 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 68564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).