5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole

C22H23BrN4 — CID 69119670

IUPAC5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESBrc1ccccc1Cc1cnc[nH]1.Cc1cccc(C)c1Cc1cnc[nH]1
InChIInChI=1S/C12H14N2.C10H9BrN2/c1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13)
InChIKeySGXXCSMJSXKOGI-UHFFFAOYSA-N
MW423.36 g/mol
LogP5.38
Rot. Bonds4

About 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole

5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole (PubChem CID 69119670) has the molecular formula C22H23BrN4 and a molecular weight of 423.36 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
PubChem CID69119670
Molecular FormulaC22H23BrN4
Molecular Weight423.36 g/mol
Exact Mass422.11
IUPAC Name5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESBrc1ccccc1Cc1cnc[nH]1.Cc1cccc(C)c1Cc1cnc[nH]1
InChIInChI=1S/C12H14N2.C10H9BrN2/c1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13)
InChIKeySGXXCSMJSXKOGI-UHFFFAOYSA-N
XLogP5.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)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 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole (CID 69119670) is 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole is Brc1ccccc1Cc1cnc[nH]1.Cc1cccc(C)c1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The InChIKey is SGXXCSMJSXKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C10H9BrN2/c1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13).
What are the key properties of 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole has a molecular weight of 423.36 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 69119670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).