[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C33H37Cl2N3O4 — CID 22721098

About [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 22721098) has the molecular formula C33H37Cl2N3O4 and a molecular weight of 610.58 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
• PubChem CID: 22721098
• Molecular Formula: C33H37Cl2N3O4
• Molecular Weight: 610.58 g/mol
• Exact Mass: 609.22
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCC(C(C)O)CC2)c(OC(C)C)c1
• InChI: InChI=1S/C33H37Cl2N3O4/c1-20(2)42-29-19-27(41-4)13-14-28(29)32-36-30(23-5-9-25(34)10-6-23)31(24-7-11-26(35)12-8-24)38(32)33(40)37-17-15-22(16-18-37)21(3)39/h5-14,19-22,30-31,39H,15-18H2,1-4H3
• InChIKey: ACYBQAXRSAUTDD-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 74.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.58
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 22721098) is [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCC(C(C)O)CC2)c(OC(C)C)c1.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?

The InChIKey is ACYBQAXRSAUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Cl2N3O4/c1-20(2)42-29-19-27(41-4)13-14-28(29)32-36-30(23-5-9-25(34)10-6-23)31(24-7-11-26(35)12-8-24)38(32)33(40)37-17-15-22(16-18-37)21(3)39/h5-14,19-22,30-31,39H,15-18H2,1-4H3.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?

[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 610.58 g/mol, XLogP of 7.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 22721098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).