prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

C27H23Cl3N4O4 — CID 76784151

About prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate (PubChem CID 76784151) has the molecular formula C27H23Cl3N4O4 and a molecular weight of 573.86 g/mol. Its IUPAC name is prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate
• PubChem CID: 76784151
• Molecular Formula: C27H23Cl3N4O4
• Molecular Weight: 573.86 g/mol
• Exact Mass: 572.08
• IUPAC Name: prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate
• SMILES: C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(Cl)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
• InChI: InChI=1S/C27H23Cl3N4O4/c1-3-10-38-24(37)27(8-9-27)32-22(35)21-15-31-25-33(20-12-18(29)11-19(30)13-20)23(36)26(2,34(21)25)14-16-4-6-17(28)7-5-16/h3-7,11-13,15H,1,8-10,14H2,2H3,(H,32,35)
• InChIKey: ZPGRORQOGHNRSC-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.86
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate?

The IUPAC name of prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate (CID 76784151) is prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate.

What is the SMILES notation for prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate?

The canonical SMILES for prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate is C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(Cl)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1.

What is the InChIKey of prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate?

The InChIKey is ZPGRORQOGHNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl3N4O4/c1-3-10-38-24(37)27(8-9-27)32-22(35)21-15-31-25-33(20-12-18(29)11-19(30)13-20)23(36)26(2,34(21)25)14-16-4-6-17(28)7-5-16/h3-7,11-13,15H,1,8-10,14H2,2H3,(H,32,35).

What are the key properties of prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate?

prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate has a molecular weight of 573.86 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 1-[[5-[(4-chlorophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 76784151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).