4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate

C82H72Cl6F3N7O15S3 — CID 160668357

About 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate

4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate (PubChem CID 160668357) has the molecular formula C82H72Cl6F3N7O15S3 and a molecular weight of 1761.42 g/mol. Its IUPAC name is 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate
• PubChem CID: 160668357
• Molecular Formula: C82H72Cl6F3N7O15S3
• Molecular Weight: 1761.42 g/mol
• Exact Mass: 1757.23
• IUPAC Name: 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate
• SMILES: CC(C)(O)c1cn(-c2ccc(-c3ccc(C(=O)O)c(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2Cl)n1.CCOC(=O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)c(Cl)c2)cc1S(C)(=O)=O.CON(C)C(=O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)c(Cl)c2)cc1S(C)(=O)=O
• InChI: InChI=1S/C28H26Cl2FN3O5S.C28H25Cl2FN2O5S.C26H21Cl2FN2O5S/c1-28(2,36)24-15-34(26(32-24)25-19(29)7-6-8-21(25)31)22-12-10-16(13-20(22)30)17-9-11-18(27(35)33(3)39-4)23(14-17)40(5,37)38;1-5-38-27(34)18-11-9-17(14-23(18)39(4,36)37)16-10-12-22(20(30)13-16)33-15-24(28(2,3)35)32-26(33)25-19(29)7-6-8-21(25)31;1-26(2,34)22-13-31(24(30-22)23-17(27)5-4-6-19(23)29)20-10-8-14(11-18(20)28)15-7-9-16(25(32)33)21(12-15)37(3,35)36/h6-15,36H,1-5H3;6-15,35H,5H2,1-4H3;4-13,34H,1-3H3,(H,32,33)
• InChIKey: RMPLBBMGJZXLFN-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 309.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1761.42
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate?

The IUPAC name of 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate (CID 160668357) is 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate.

What is the SMILES notation for 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate?

The canonical SMILES for 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate is CC(C)(O)c1cn(-c2ccc(-c3ccc(C(=O)O)c(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2Cl)n1.CCOC(=O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)c(Cl)c2)cc1S(C)(=O)=O.CON(C)C(=O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)c(Cl)c2)cc1S(C)(=O)=O.

What is the InChIKey of 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate?

The InChIKey is RMPLBBMGJZXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2FN3O5S.C28H25Cl2FN2O5S.C26H21Cl2FN2O5S/c1-28(2,36)24-15-34(26(32-24)25-19(29)7-6-8-21(25)31)22-12-10-16(13-20(22)30)17-9-11-18(27(35)33(3)39-4)23(14-17)40(5,37)38;1-5-38-27(34)18-11-9-17(14-23(18)39(4,36)37)16-10-12-22(20(30)13-16)33-15-24(28(2,3)35)32-26(33)25-19(29)7-6-8-21(25)31;1-26(2,34)22-13-31(24(30-22)23-17(27)5-4-6-19(23)29)20-10-8-14(11-18(20)28)15-7-9-16(25(32)33)21(12-15)37(3,35)36/h6-15,36H,1-5H3;6-15,35H,5H2,1-4H3;4-13,34H,1-3H3,(H,32,33).

What are the key properties of 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate?

4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate has a molecular weight of 1761.42 g/mol, XLogP of 18.36, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate is sourced from PubChem (CID 160668357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).