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

C56H60BrClN10 — CID 157371422

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

5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole (PubChem CID 157371422) has the molecular formula C56H60BrClN10 and a molecular weight of 988.52 g/mol. Its IUPAC name is 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole.

Molecular Properties

• Compound Name: 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
• PubChem CID: 157371422
• Molecular Formula: C56H60BrClN10
• Molecular Weight: 988.52 g/mol
• Exact Mass: 986.39
• IUPAC Name: 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
• SMILES: Brc1ccccc1Cc1cnc[nH]1.CCc1cccc(CC)c1Cc1cnc[nH]1.Cc1cccc(C)c1Cc1cnc[nH]1.Clc1ccccc1Cc1cnc[nH]1.c1ccc(Cc2cnc[nH]2)cc1
• InChI: InChI=1S/C14H18N2.C12H14N2.C10H9BrN2.C10H9ClN2.C10H10N2/c1-3-11-6-5-7-12(4-2)14(11)8-13-9-15-10-16-13;1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;2*11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;1-2-4-9(5-3-1)6-10-7-11-8-12-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,16);3-5,7-8H,6H2,1-2H3,(H,13,14);2*1-4,6-7H,5H2,(H,12,13);1-5,7-8H,6H2,(H,11,12)
• InChIKey: BJURSAGYCLAATO-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 143.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.52
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?

The IUPAC name of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole (CID 157371422) is 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole.

What is the SMILES notation for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?

The canonical SMILES for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole is Brc1ccccc1Cc1cnc[nH]1.CCc1cccc(CC)c1Cc1cnc[nH]1.Cc1cccc(C)c1Cc1cnc[nH]1.Clc1ccccc1Cc1cnc[nH]1.c1ccc(Cc2cnc[nH]2)cc1.

What is the InChIKey of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?

The InChIKey is BJURSAGYCLAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C12H14N2.C10H9BrN2.C10H9ClN2.C10H10N2/c1-3-11-6-5-7-12(4-2)14(11)8-13-9-15-10-16-13;1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;2*11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;1-2-4-9(5-3-1)6-10-7-11-8-12-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,16);3-5,7-8H,6H2,1-2H3,(H,13,14);2*1-4,6-7H,5H2,(H,12,13);1-5,7-8H,6H2,(H,11,12).

What are the key properties of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole?

5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole has a molecular weight of 988.52 g/mol, XLogP of 13.16, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 157371422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).