2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride

C31H33Cl3F3N5O4S — CID 87762635

About 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride

2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride (PubChem CID 87762635) has the molecular formula C31H33Cl3F3N5O4S and a molecular weight of 735.06 g/mol. Its IUPAC name is 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride
• PubChem CID: 87762635
• Molecular Formula: C31H33Cl3F3N5O4S
• Molecular Weight: 735.06 g/mol
• Exact Mass: 733.13
• IUPAC Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCS(N)(=O)=O)CC1.Cl
• InChI: InChI=1S/C31H32Cl2F3N5O4S.ClH/c1-2-45-26-19-22(31(34,35)36)7-12-25(26)29-38-27(20-3-8-23(32)9-4-20)28(21-5-10-24(33)11-6-21)41(29)30(42)40-15-13-39(14-16-40)17-18-46(37,43)44;/h3-12,19,27-28H,2,13-18H2,1H3,(H2,37,43,44);1H
• InChIKey: LBVCBDILDVPPOO-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 108.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.06
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride?

The IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride (CID 87762635) is 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride.

What is the SMILES notation for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride?

The canonical SMILES for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCS(N)(=O)=O)CC1.Cl.

What is the InChIKey of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride?

The InChIKey is LBVCBDILDVPPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2F3N5O4S.ClH/c1-2-45-26-19-22(31(34,35)36)7-12-25(26)29-38-27(20-3-8-23(32)9-4-20)28(21-5-10-24(33)11-6-21)41(29)30(42)40-15-13-39(14-16-40)17-18-46(37,43)44;/h3-12,19,27-28H,2,13-18H2,1H3,(H2,37,43,44);1H.

What are the key properties of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride?

2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride has a molecular weight of 735.06 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 87762635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).