1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole

C58H67ClN8 — CID 157178335

About 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole

1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole (PubChem CID 157178335) has the molecular formula C58H67ClN8 and a molecular weight of 911.68 g/mol. Its IUPAC name is 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole
• PubChem CID: 157178335
• Molecular Formula: C58H67ClN8
• Molecular Weight: 911.68 g/mol
• Exact Mass: 910.52
• IUPAC Name: 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole
• SMILES: Cc1cc(C(C)c2ncc[nH]2)ccc1Cl.Cc1cc(C)cc(C(C)c2ncc[nH]2)c1.Cc1ccc(C)c(C(C)c2ncc[nH]2)c1.Cc1cccc(C(C)c2nccn2Cc2ccccc2)c1C
• InChI: InChI=1S/C20H22N2.2C13H16N2.C12H13ClN2/c1-15-8-7-11-19(16(15)2)17(3)20-21-12-13-22(20)14-18-9-5-4-6-10-18;1-9-6-10(2)8-12(7-9)11(3)13-14-4-5-15-13;1-9-4-5-10(2)12(8-9)11(3)13-14-6-7-15-13;1-8-7-10(3-4-11(8)13)9(2)12-14-5-6-15-12/h4-13,17H,14H2,1-3H3;2*4-8,11H,1-3H3,(H,14,15);3-7,9H,1-2H3,(H,14,15)
• InChIKey: AOGYNIWRHDGSOO-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 103.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.68
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole?

The IUPAC name of 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole (CID 157178335) is 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole.

What is the SMILES notation for 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole?

The canonical SMILES for 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole is Cc1cc(C(C)c2ncc[nH]2)ccc1Cl.Cc1cc(C)cc(C(C)c2ncc[nH]2)c1.Cc1ccc(C)c(C(C)c2ncc[nH]2)c1.Cc1cccc(C(C)c2nccn2Cc2ccccc2)c1C.

What is the InChIKey of 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole?

The InChIKey is AOGYNIWRHDGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.2C13H16N2.C12H13ClN2/c1-15-8-7-11-19(16(15)2)17(3)20-21-12-13-22(20)14-18-9-5-4-6-10-18;1-9-6-10(2)8-12(7-9)11(3)13-14-4-5-15-13;1-9-4-5-10(2)12(8-9)11(3)13-14-6-7-15-13;1-8-7-10(3-4-11(8)13)9(2)12-14-5-6-15-12/h4-13,17H,14H2,1-3H3;2*4-8,11H,1-3H3,(H,14,15);3-7,9H,1-2H3,(H,14,15).

What are the key properties of 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole?

1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 911.68 g/mol, XLogP of 14.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 157178335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).