[2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate

C24H21Cl2F4N3O5 — CID 25055163

About [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate

[2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate (PubChem CID 25055163) has the molecular formula C24H21Cl2F4N3O5 and a molecular weight of 578.35 g/mol. Its IUPAC name is [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate.

Molecular Properties

• Compound Name: [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate
• PubChem CID: 25055163
• Molecular Formula: C24H21Cl2F4N3O5
• Molecular Weight: 578.35 g/mol
• Exact Mass: 577.08
• IUPAC Name: [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate
• SMILES: COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)COCC(F)(F)F)n1-c1ccc(F)cc1
• InChI: InChI=1S/C24H21Cl2F4N3O5/c1-23(2,11-37-12-24(28,29)30)38-21(35)18-19(31-20(34)16-9-4-13(25)10-17(16)26)32-22(36-3)33(18)15-7-5-14(27)6-8-15/h4-10H,11-12H2,1-3H3,(H,31,34)
• InChIKey: VUYONARJDRWLFH-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.35
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?

The IUPAC name of [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate (CID 25055163) is [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate.

What is the SMILES notation for [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?

The canonical SMILES for [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate is COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)COCC(F)(F)F)n1-c1ccc(F)cc1.

What is the InChIKey of [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?

The InChIKey is VUYONARJDRWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F4N3O5/c1-23(2,11-37-12-24(28,29)30)38-21(35)18-19(31-20(34)16-9-4-13(25)10-17(16)26)32-22(36-3)33(18)15-7-5-14(27)6-8-15/h4-10H,11-12H2,1-3H3,(H,31,34).

What are the key properties of [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?

[2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate has a molecular weight of 578.35 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate is sourced from PubChem (CID 25055163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).