4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide

C32H36Cl2N4O4 — CID 66978967

About 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide

4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 66978967) has the molecular formula C32H36Cl2N4O4 and a molecular weight of 611.57 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

• Compound Name: 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide
• PubChem CID: 66978967
• Molecular Formula: C32H36Cl2N4O4
• Molecular Weight: 611.57 g/mol
• Exact Mass: 610.21
• IUPAC Name: 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)NCCN2CCOCC2)c(OC(C)C)c1
• InChI: InChI=1S/C32H36Cl2N4O4/c1-21(2)42-28-20-26(40-3)12-13-27(28)31-36-29(22-4-8-24(33)9-5-22)30(23-6-10-25(34)11-7-23)38(31)32(39)35-14-15-37-16-18-41-19-17-37/h4-13,20-21,29-30H,14-19H2,1-3H3,(H,35,39)
• InChIKey: QZHWMTRIHNMWSF-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 75.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.57
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide?

The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide (CID 66978967) is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide.

What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide?

The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)NCCN2CCOCC2)c(OC(C)C)c1.

What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide?

The InChIKey is QZHWMTRIHNMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N4O4/c1-21(2)42-28-20-26(40-3)12-13-27(28)31-36-29(22-4-8-24(33)9-5-22)30(23-6-10-25(34)11-7-23)38(31)32(39)35-14-15-37-16-18-41-19-17-37/h4-13,20-21,29-30H,14-19H2,1-3H3,(H,35,39).

What are the key properties of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide?

4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 611.57 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 66978967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).