2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone

C152H155Cl2N15O22 — CID 161085273

About 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone (PubChem CID 161085273) has the molecular formula C152H155Cl2N15O22 and a molecular weight of 2614.90 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
• PubChem CID: 161085273
• Molecular Formula: C152H155Cl2N15O22
• Molecular Weight: 2614.90 g/mol
• Exact Mass: 2612.08
• IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
• SMILES: CCOc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1OCC.COc1ccc(C(=O)Cc2cn(CC3CCCCC3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccc(C)cc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(-c4ccccc4)c3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(-n4cccc4)c3)cn2)cc1OC.COc1cccc(Cn2cnc(CC(=O)c3ccc(OC)c(OC)c3)c2)c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc(O)c(O)c1
• InChI: InChI=1S/C26H24N2O3.C24H23N3O3.C22H23ClN2O3.C21H22N2O4.C21H22N2O3.C20H26N2O3.C18H15ClN2O3/c1-30-25-12-11-22(14-26(25)31-2)24(29)15-23-17-28(18-27-23)16-19-7-6-10-21(13-19)20-8-4-3-5-9-20;1-29-23-9-8-19(13-24(23)30-2)22(28)14-20-16-26(17-25-20)15-18-6-5-7-21(12-18)27-10-3-4-11-27;1-3-27-21-9-8-17(11-22(21)28-4-2)20(26)12-19-14-25(15-24-19)13-16-6-5-7-18(23)10-16;1-25-18-6-4-5-15(9-18)12-23-13-17(22-14-23)11-19(24)16-7-8-20(26-2)21(10-16)27-3;1-15-4-6-16(7-5-15)12-23-13-18(22-14-23)11-19(24)17-8-9-20(25-2)21(10-17)26-3;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;19-14-3-1-2-12(6-14)9-21-10-15(20-11-21)8-17(23)13-4-5-16(22)18(24)7-13/h3-14,17-18H,15-16H2,1-2H3;3-13,16-17H,14-15H2,1-2H3;5-11,14-15H,3-4,12-13H2,1-2H3;4-10,13-14H,11-12H2,1-3H3;4-10,13-14H,11-12H2,1-3H3;8-10,13-15H,3-7,11-12H2,1-2H3;1-7,10-11,22,24H,8-9H2
• InChIKey: UGKPSJRZGPVSEF-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 409.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 52
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2614.90
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?

The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone (CID 161085273) is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone.

What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?

The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone is CCOc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1OCC.COc1ccc(C(=O)Cc2cn(CC3CCCCC3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3ccc(C)cc3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(-c4ccccc4)c3)cn2)cc1OC.COc1ccc(C(=O)Cc2cn(Cc3cccc(-n4cccc4)c3)cn2)cc1OC.COc1cccc(Cn2cnc(CC(=O)c3ccc(OC)c(OC)c3)c2)c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc(O)c(O)c1.

What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?

The InChIKey is UGKPSJRZGPVSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C24H23N3O3.C22H23ClN2O3.C21H22N2O4.C21H22N2O3.C20H26N2O3.C18H15ClN2O3/c1-30-25-12-11-22(14-26(25)31-2)24(29)15-23-17-28(18-27-23)16-19-7-6-10-21(13-19)20-8-4-3-5-9-20;1-29-23-9-8-19(13-24(23)30-2)22(28)14-20-16-26(17-25-20)15-18-6-5-7-21(12-18)27-10-3-4-11-27;1-3-27-21-9-8-17(11-22(21)28-4-2)20(26)12-19-14-25(15-24-19)13-16-6-5-7-18(23)10-16;1-25-18-6-4-5-15(9-18)12-23-13-17(22-14-23)11-19(24)16-7-8-20(26-2)21(10-16)27-3;1-15-4-6-16(7-5-15)12-23-13-18(22-14-23)11-19(24)17-8-9-20(25-2)21(10-17)26-3;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;19-14-3-1-2-12(6-14)9-21-10-15(20-11-21)8-17(23)13-4-5-16(22)18(24)7-13/h3-14,17-18H,15-16H2,1-2H3;3-13,16-17H,14-15H2,1-2H3;5-11,14-15H,3-4,12-13H2,1-2H3;4-10,13-14H,11-12H2,1-3H3;4-10,13-14H,11-12H2,1-3H3;8-10,13-15H,3-7,11-12H2,1-2H3;1-7,10-11,22,24H,8-9H2.

What are the key properties of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone has a molecular weight of 2614.90 g/mol, XLogP of 28.41, 52 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 161085273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).