4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol

C91H98N10O4 — CID 161415616

About 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol

4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol (PubChem CID 161415616) has the molecular formula C91H98N10O4 and a molecular weight of 1395.85 g/mol. Its IUPAC name is 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol.

Molecular Properties

• Compound Name: 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol
• PubChem CID: 161415616
• Molecular Formula: C91H98N10O4
• Molecular Weight: 1395.85 g/mol
• Exact Mass: 1394.78
• IUPAC Name: 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol
• SMILES: CC(=O)n1c(-c2cc(C)c(O)c(C)c2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1.CCN(CC)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)[nH]c2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C37H42N4O.C29H32N4O2.C25H24N2O/c1-7-39(8-2)31-20-16-28(17-21-31)34-35(29-18-22-32(23-19-29)40(9-3)10-4)41(33-14-12-11-13-15-33)37(38-34)30-24-26(5)36(42)27(6)25-30;1-18-16-23(17-19(2)28(18)35)29-30-26(21-8-12-24(13-9-21)31(4)5)27(33(29)20(3)34)22-10-14-25(15-11-22)32(6)7;1-15-5-9-19(10-6-15)22-23(20-11-7-16(2)8-12-20)27-25(26-22)21-13-17(3)24(28)18(4)14-21/h11-25,42H,7-10H2,1-6H3;8-17,35H,1-7H3;5-14,28H,1-4H3,(H,26,27)
• InChIKey: VWAVJESOFUGYHD-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 155.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.85
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?

The IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol (CID 161415616) is 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol.

What is the SMILES notation for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?

The canonical SMILES for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol is CC(=O)n1c(-c2cc(C)c(O)c(C)c2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1.CCN(CC)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)[nH]c2-c2ccc(C)cc2)cc1.

What is the InChIKey of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?

The InChIKey is VWAVJESOFUGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O.C29H32N4O2.C25H24N2O/c1-7-39(8-2)31-20-16-28(17-21-31)34-35(29-18-22-32(23-19-29)40(9-3)10-4)41(33-14-12-11-13-15-33)37(38-34)30-24-26(5)36(42)27(6)25-30;1-18-16-23(17-19(2)28(18)35)29-30-26(21-8-12-24(13-9-21)31(4)5)27(33(29)20(3)34)22-10-14-25(15-11-22)32(6)7;1-15-5-9-19(10-6-15)22-23(20-11-7-16(2)8-12-20)27-25(26-22)21-13-17(3)24(28)18(4)14-21/h11-25,42H,7-10H2,1-6H3;8-17,35H,1-7H3;5-14,28H,1-4H3,(H,26,27).

What are the key properties of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?

4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol has a molecular weight of 1395.85 g/mol, XLogP of 21.24, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 161415616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).