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

C32H34Cl2N4O5 — CID 53494988

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

4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 53494988) has the molecular formula C32H34Cl2N4O5 and a molecular weight of 625.55 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-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-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide
• PubChem CID: 53494988
• Molecular Formula: C32H34Cl2N4O5
• Molecular Weight: 625.55 g/mol
• Exact Mass: 624.19
• IUPAC Name: 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)NCC(=O)N2CCOCC2)c(OC(C)C)c1
• InChI: InChI=1S/C32H34Cl2N4O5/c1-20(2)43-27-18-25(41-3)12-13-26(27)31-36-29(21-4-8-23(33)9-5-21)30(22-6-10-24(34)11-7-22)38(31)32(40)35-19-28(39)37-14-16-42-17-15-37/h4-13,18,20,29-30H,14-17,19H2,1-3H3,(H,35,40)
• InChIKey: DUIPECVWQLRRMO-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 92.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.55
LogP ≤ 5	5.90
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-yl-2-oxoethyl)-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-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide (CID 53494988) is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-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-yl-2-oxoethyl)-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-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)NCC(=O)N2CCOCC2)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-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide?

The InChIKey is DUIPECVWQLRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O5/c1-20(2)43-27-18-25(41-3)12-13-26(27)31-36-29(21-4-8-23(33)9-5-21)30(22-6-10-24(34)11-7-22)38(31)32(40)35-19-28(39)37-14-16-42-17-15-37/h4-13,18,20,29-30H,14-17,19H2,1-3H3,(H,35,40).

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

4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 625.55 g/mol, XLogP of 5.90, 8 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-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 53494988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).