3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C37H43Cl2N5O5S — CID 11853125

About 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide

3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 11853125) has the molecular formula C37H43Cl2N5O5S and a molecular weight of 740.75 g/mol. Its IUPAC name is 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide
• PubChem CID: 11853125
• Molecular Formula: C37H43Cl2N5O5S
• Molecular Weight: 740.75 g/mol
• Exact Mass: 739.24
• IUPAC Name: 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide
• SMILES: CCOc1ccc(S(=O)(=O)N(C)CC(C)C)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)C2CC2)CC1
• InChI: InChI=1S/C37H43Cl2N5O5S/c1-5-49-32-17-16-30(50(47,48)41(4)23-24(2)3)22-31(32)35-40-33(25-8-12-28(38)13-9-25)34(26-10-14-29(39)15-11-26)44(35)37(46)43-20-18-42(19-21-43)36(45)27-6-7-27/h8-17,22,24,27,33-34H,5-7,18-21,23H2,1-4H3
• InChIKey: MXUIBZIMNVVHQJ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 102.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.75
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide?

The IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 11853125) is 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

What is the SMILES notation for 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide?

The canonical SMILES for 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC(C)C)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)C2CC2)CC1.

What is the InChIKey of 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide?

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

What are the key properties of 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide?

3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 740.75 g/mol, XLogP of 6.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 11853125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).