2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone

C142H140Cl4FN15O21 — CID 157051104

About 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone

2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone (PubChem CID 157051104) has the molecular formula C142H140Cl4FN15O21 and a molecular weight of 2553.58 g/mol. Its IUPAC name is 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone
• PubChem CID: 157051104
• Molecular Formula: C142H140Cl4FN15O21
• Molecular Weight: 2553.58 g/mol
• Exact Mass: 2549.91
• IUPAC Name: 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone
• SMILES: COc1ccc(C(=O)Cc2cn(C(C)c3ccccc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3Cl)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3F)cn2)cc1OC.COc1ccc(C(=O)Cc2ncn(Cc3cccc(Cl)c3)c2C)cc1OC.COc1ccc(C(=O)N(C)c2cn(Cc3cccc(Cl)c3)cn2)cc1OC
• InChI: InChI=1S/C21H21ClN2O3.C21H22N2O3.C20H20ClN3O3.2C20H19ClN2O3.C20H19FN2O3.C20H20N2O3/c1-14-18(23-13-24(14)12-15-5-4-6-17(22)9-15)11-19(25)16-7-8-20(26-2)21(10-16)27-3;1-15(16-7-5-4-6-8-16)23-13-18(22-14-23)12-19(24)17-9-10-20(25-2)21(11-17)26-3;1-23(20(25)15-7-8-17(26-2)18(10-15)27-3)19-12-24(13-22-19)11-14-5-4-6-16(21)9-14;1-25-19-7-6-15(9-20(19)26-2)18(24)10-17-12-23(13-22-17)11-14-4-3-5-16(21)8-14;2*1-25-19-8-7-14(9-20(19)26-2)18(24)10-16-12-23(13-22-16)11-15-5-3-4-6-17(15)21;1-24-19-9-8-16(10-20(19)25-2)18(23)11-17-13-22(14-21-17)12-15-6-4-3-5-7-15/h4-10,13H,11-12H2,1-3H3;4-11,13-15H,12H2,1-3H3;4-10,12-13H,11H2,1-3H3;3*3-9,12-13H,10-11H2,1-2H3;3-10,13-14H,11-12H2,1-2H3
• InChIKey: AAFGSZPQWNLRCJ-UHFFFAOYSA-N
• XLogP: 27.09
• TPSA: 376.69 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2553.58
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone?

The IUPAC name of 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone (CID 157051104) is 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone.

What is the SMILES notation for 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone?

The canonical SMILES for 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone is COc1ccc(C(=O)Cc2cn(C(C)c3ccccc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3Cl)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccccc3F)cn2)cc1OC.COc1ccc(C(=O)Cc2ncn(Cc3cccc(Cl)c3)c2C)cc1OC.COc1ccc(C(=O)N(C)c2cn(Cc3cccc(Cl)c3)cn2)cc1OC.

What is the InChIKey of 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone?

The InChIKey is AAFGSZPQWNLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3.C21H22N2O3.C20H20ClN3O3.2C20H19ClN2O3.C20H19FN2O3.C20H20N2O3/c1-14-18(23-13-24(14)12-15-5-4-6-17(22)9-15)11-19(25)16-7-8-20(26-2)21(10-16)27-3;1-15(16-7-5-4-6-8-16)23-13-18(22-14-23)12-19(24)17-9-10-20(25-2)21(11-17)26-3;1-23(20(25)15-7-8-17(26-2)18(10-15)27-3)19-12-24(13-22-19)11-14-5-4-6-16(21)9-14;1-25-19-7-6-15(9-20(19)26-2)18(24)10-17-12-23(13-22-17)11-14-4-3-5-16(21)8-14;2*1-25-19-8-7-14(9-20(19)26-2)18(24)10-16-12-23(13-22-16)11-15-5-3-4-6-17(15)21;1-24-19-9-8-16(10-20(19)25-2)18(23)11-17-13-22(14-21-17)12-15-6-4-3-5-7-15/h4-10,13H,11-12H2,1-3H3;4-11,13-15H,12H2,1-3H3;4-10,12-13H,11H2,1-3H3;3*3-9,12-13H,10-11H2,1-2H3;3-10,13-14H,11-12H2,1-2H3.

What are the key properties of 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone?

2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone has a molecular weight of 2553.58 g/mol, XLogP of 27.09, 48 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylimidazol-4-yl)-1-(3,4-dimethoxyphenyl)ethanone;N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-3,4-dimethoxy-N-methylbenzamide;2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]-5-methylimidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-(1-phenylethyl)imidazol-4-yl]ethanone is sourced from PubChem (CID 157051104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).