4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol

C58H67N7O7 — CID 161045553

About 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol

4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol (PubChem CID 161045553) has the molecular formula C58H67N7O7 and a molecular weight of 974.22 g/mol. Its IUPAC name is 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol.

Molecular Properties

• Compound Name: 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol
• PubChem CID: 161045553
• Molecular Formula: C58H67N7O7
• Molecular Weight: 974.22 g/mol
• Exact Mass: 973.51
• IUPAC Name: 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol
• SMILES: CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1.CCOc1ccc(-c2cc(OC)c(O)c(OC)c2)c(-c2ncc(-c3ccc(N(C)C)cc3)[nH]2)c1
• InChI: InChI=1S/C31H38N4O3.C27H29N3O4/c1-7-34(8-2)24-15-11-21(12-16-24)28-29(22-13-17-25(18-14-22)35(9-3)10-4)33-31(32-28)23-19-26(37-5)30(36)27(20-23)38-6;1-6-34-20-11-12-21(18-13-24(32-4)26(31)25(14-18)33-5)22(15-20)27-28-16-23(29-27)17-7-9-19(10-8-17)30(2)3/h11-20,36H,7-10H2,1-6H3,(H,32,33);7-16,31H,6H2,1-5H3,(H,28,29)
• InChIKey: UBLMOMYTUXKFDY-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 153.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.22
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol?

The IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol (CID 161045553) is 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol.

What is the SMILES notation for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol?

The canonical SMILES for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol is CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1.CCOc1ccc(-c2cc(OC)c(O)c(OC)c2)c(-c2ncc(-c3ccc(N(C)C)cc3)[nH]2)c1.

What is the InChIKey of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol?

The InChIKey is UBLMOMYTUXKFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3.C27H29N3O4/c1-7-34(8-2)24-15-11-21(12-16-24)28-29(22-13-17-25(18-14-22)35(9-3)10-4)33-31(32-28)23-19-26(37-5)30(36)27(20-23)38-6;1-6-34-20-11-12-21(18-13-24(32-4)26(31)25(14-18)33-5)22(15-20)27-28-16-23(29-27)17-7-9-19(10-8-17)30(2)3/h11-20,36H,7-10H2,1-6H3,(H,32,33);7-16,31H,6H2,1-5H3,(H,28,29).

What are the key properties of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol?

4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol has a molecular weight of 974.22 g/mol, XLogP of 12.42, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 161045553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).