2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol

C172H193N25O18S4 — CID 157184737

About 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol

2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol (PubChem CID 157184737) has the molecular formula C172H193N25O18S4 and a molecular weight of 3026.86 g/mol. Its IUPAC name is 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
• PubChem CID: 157184737
• Molecular Formula: C172H193N25O18S4
• Molecular Weight: 3026.86 g/mol
• Exact Mass: 3024.38
• IUPAC Name: 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
• SMILES: C=C(C)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.C=S(C)(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.C=S(C)(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.CC(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CCNC(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.COC(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CS(=O)(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CS(=O)(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1
• InChI: InChI=1S/C23H27N3O2.C23H26N2O.2C22H26N2O2S.C21H22N4O3.C21H22N4O2.2C20H22N4O3S/c1-3-24-22(28)14-18-8-7-9-19(13-18)15-26-16-25-23(21(26)12-17(2)27)20-10-5-4-6-11-20;1-17(2)12-19-8-7-9-20(14-19)15-25-16-24-23(22(25)13-18(3)26)21-10-5-4-6-11-21;2*1-17(25)12-21-22(20-10-5-4-6-11-20)23-16-24(21)14-18-8-7-9-19(13-18)15-27(2,3)26;1-28-21(27)24-17-9-5-8-16(10-17)13-25-14-23-18(19(25)12-20(22)26)11-15-6-3-2-4-7-15;1-15(26)24-18-9-5-8-17(10-18)13-25-14-23-19(20(25)12-21(22)27)11-16-6-3-2-4-7-16;2*1-28(26,27)23-17-9-5-8-16(10-17)13-24-14-22-18(19(24)12-20(21)25)11-15-6-3-2-4-7-15/h4-11,13,16-17,27H,3,12,14-15H2,1-2H3,(H,24,28);4-11,14,16,18,26H,1,12-13,15H2,2-3H3;2*4-11,13,16-17,25H,2,12,14-15H2,1,3H3;2-10,14H,11-13H2,1H3,(H2,22,26)(H,24,27);2-10,14H,11-13H2,1H3,(H2,22,27)(H,24,26);2*2-10,14,23H,11-13H2,1H3,(H2,21,25)
• InChIKey: AOZHCJFJBDJHJM-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 618.85 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 59
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3026.86
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol?

The IUPAC name of 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol (CID 157184737) is 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol is C=C(C)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.C=S(C)(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.C=S(C)(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.CC(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CCNC(=O)Cc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.COC(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CS(=O)(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.CS(=O)(=O)Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(N)=O)c1.

What is the InChIKey of 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol?

The InChIKey is AOZHCJFJBDJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C23H26N2O.2C22H26N2O2S.C21H22N4O3.C21H22N4O2.2C20H22N4O3S/c1-3-24-22(28)14-18-8-7-9-19(13-18)15-26-16-25-23(21(26)12-17(2)27)20-10-5-4-6-11-20;1-17(2)12-19-8-7-9-20(14-19)15-25-16-24-23(22(25)13-18(3)26)21-10-5-4-6-11-21;2*1-17(25)12-21-22(20-10-5-4-6-11-20)23-16-24(21)14-18-8-7-9-19(13-18)15-27(2,3)26;1-28-21(27)24-17-9-5-8-16(10-17)13-25-14-23-18(19(25)12-20(22)26)11-15-6-3-2-4-7-15;1-15(26)24-18-9-5-8-17(10-18)13-25-14-23-19(20(25)12-21(22)27)11-16-6-3-2-4-7-16;2*1-28(26,27)23-17-9-5-8-16(10-17)13-24-14-22-18(19(24)12-20(21)25)11-15-6-3-2-4-7-15/h4-11,13,16-17,27H,3,12,14-15H2,1-2H3,(H,24,28);4-11,14,16,18,26H,1,12-13,15H2,2-3H3;2*4-11,13,16-17,25H,2,12,14-15H2,1,3H3;2-10,14H,11-13H2,1H3,(H2,22,26)(H,24,27);2-10,14H,11-13H2,1H3,(H2,22,27)(H,24,26);2*2-10,14,23H,11-13H2,1H3,(H2,21,25).

What are the key properties of 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol?

2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol has a molecular weight of 3026.86 g/mol, XLogP of 23.66, 59 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol is sourced from PubChem (CID 157184737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).