[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol

C44H31Cl3N4O2 — CID 166512006

About [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol

[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol (PubChem CID 166512006) has the molecular formula C44H31Cl3N4O2 and a molecular weight of 754.12 g/mol. Its IUPAC name is [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol.

Molecular Properties

• Compound Name: [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol
• PubChem CID: 166512006
• Molecular Formula: C44H31Cl3N4O2
• Molecular Weight: 754.12 g/mol
• Exact Mass: 752.15
• IUPAC Name: [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol
• SMILES: COc1cc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccccc4)c3-c3ccccc3)N=C2c2ccccc2Cl)ccc1CO
• InChI: InChI=1S/C44H31Cl3N4O2/c1-53-38-26-30(24-25-31(38)27-52)39-41(32-18-8-11-21-35(32)45)50-44(49-39,34-20-10-13-23-37(34)47)51-42(29-16-6-3-7-17-29)40(28-14-4-2-5-15-28)48-43(51)33-19-9-12-22-36(33)46/h2-26,52H,27H2,1H3
• InChIKey: QXJZYOGVSIFJED-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 72.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.12
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol?

The IUPAC name of [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol (CID 166512006) is [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol.

What is the SMILES notation for [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol?

The canonical SMILES for [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol is COc1cc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccccc4)c3-c3ccccc3)N=C2c2ccccc2Cl)ccc1CO.

What is the InChIKey of [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol?

The InChIKey is QXJZYOGVSIFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31Cl3N4O2/c1-53-38-26-30(24-25-31(38)27-52)39-41(32-18-8-11-21-35(32)45)50-44(49-39,34-20-10-13-23-37(34)47)51-42(29-16-6-3-7-17-29)40(28-14-4-2-5-15-28)48-43(51)33-19-9-12-22-36(33)46/h2-26,52H,27H2,1H3.

What are the key properties of [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol?

[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol has a molecular weight of 754.12 g/mol, XLogP of 11.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 166512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).