2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide

C35H39Cl3N4O5S — CID 123685420

About 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide

2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide (PubChem CID 123685420) has the molecular formula C35H39Cl3N4O5S and a molecular weight of 734.15 g/mol. Its IUPAC name is 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide
• PubChem CID: 123685420
• Molecular Formula: C35H39Cl3N4O5S
• Molecular Weight: 734.15 g/mol
• Exact Mass: 732.17
• IUPAC Name: 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide
• SMILES: CC(C)Oc1cc(Cl)c(S(C)(=O)=O)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(N)=O)CC1
• InChI: InChI=1S/C35H39Cl3N4O5S/c1-21(2)47-29-20-28(38)30(48(5,45)46)19-27(29)32-40-34(3,23-6-10-25(36)11-7-23)35(4,24-8-12-26(37)13-9-24)42(32)33(44)41-16-14-22(15-17-41)18-31(39)43/h6-13,19-22H,14-18H2,1-5H3,(H2,39,43)
• InChIKey: VUPYCWBHEUXTNV-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 122.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.15
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide (CID 123685420) is 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide is CC(C)Oc1cc(Cl)c(S(C)(=O)=O)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(N)=O)CC1.

What is the InChIKey of 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide?

The InChIKey is VUPYCWBHEUXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39Cl3N4O5S/c1-21(2)47-29-20-28(38)30(48(5,45)46)19-27(29)32-40-34(3,23-6-10-25(36)11-7-23)35(4,24-8-12-26(37)13-9-24)42(32)33(44)41-16-14-22(15-17-41)18-31(39)43/h6-13,19-22H,14-18H2,1-5H3,(H2,39,43).

What are the key properties of 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide?

2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 734.15 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-chloro-5-methylsulfonyl-2-propan-2-yloxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 123685420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).