[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol

C37H42N4O — CID 69325741

About [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol

[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol (PubChem CID 69325741) has the molecular formula C37H42N4O and a molecular weight of 558.77 g/mol. Its IUPAC name is [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol
• PubChem CID: 69325741
• Molecular Formula: C37H42N4O
• Molecular Weight: 558.77 g/mol
• Exact Mass: 558.34
• IUPAC Name: [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol
• SMILES: CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CC(NCc1ccc(CO)cc1)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C37H42N4O/c1-4-5-24-41-35(36(31-12-8-6-9-13-31)39-37(41)32-14-10-7-11-15-32)25-34(30-20-22-33(23-21-30)40(2)3)38-26-28-16-18-29(27-42)19-17-28/h6-23,34,38,42H,4-5,24-27H2,1-3H3
• InChIKey: GWDQOUZHNINOBA-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 53.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.77
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?

The IUPAC name of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol (CID 69325741) is [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol.

What is the SMILES notation for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?

The canonical SMILES for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CC(NCc1ccc(CO)cc1)c1ccc(N(C)C)cc1.

What is the InChIKey of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?

The InChIKey is GWDQOUZHNINOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O/c1-4-5-24-41-35(36(31-12-8-6-9-13-31)39-37(41)32-14-10-7-11-15-32)25-34(30-20-22-33(23-21-30)40(2)3)38-26-28-16-18-29(27-42)19-17-28/h6-23,34,38,42H,4-5,24-27H2,1-3H3.

What are the key properties of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?

[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol has a molecular weight of 558.77 g/mol, XLogP of 7.65, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 69325741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).