[4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C37H43Cl2N5O5S — CID 69465259

About [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 69465259) has the molecular formula C37H43Cl2N5O5S and a molecular weight of 740.75 g/mol. Its IUPAC name is [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone
• PubChem CID: 69465259
• Molecular Formula: C37H43Cl2N5O5S
• Molecular Weight: 740.75 g/mol
• Exact Mass: 739.24
• IUPAC Name: [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone
• SMILES: CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C1(C(=O)N2CCN(C(=O)C3CC3)CC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
• InChI: InChI=1S/C37H43Cl2N5O5S/c1-2-49-32-17-16-30(50(47,48)44-18-4-3-5-19-44)24-31(32)37(36(46)43-22-20-42(21-23-43)35(45)27-6-7-27)40-33(25-8-12-28(38)13-9-25)34(41-37)26-10-14-29(39)15-11-26/h8-17,24,27,33-34,40-41H,2-7,18-23H2,1H3
• InChIKey: FUXJMWGBQJGTKZ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.75
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone?

The IUPAC name of [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 69465259) is [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

What is the SMILES notation for [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone?

The canonical SMILES for [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C1(C(=O)N2CCN(C(=O)C3CC3)CC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.

What is the InChIKey of [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone?

The InChIKey is FUXJMWGBQJGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43Cl2N5O5S/c1-2-49-32-17-16-30(50(47,48)44-18-4-3-5-19-44)24-31(32)37(36(46)43-22-20-42(21-23-43)35(45)27-6-7-27)40-33(25-8-12-28(38)13-9-25)34(41-37)26-10-14-29(39)15-11-26/h8-17,24,27,33-34,40-41H,2-7,18-23H2,1H3.

What are the key properties of [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone?

[4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 740.75 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 69465259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).