1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide

C23H24ClN5O5 — CID 154453022

About 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide

1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 154453022) has the molecular formula C23H24ClN5O5 and a molecular weight of 485.93 g/mol. Its IUPAC name is 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide
• PubChem CID: 154453022
• Molecular Formula: C23H24ClN5O5
• Molecular Weight: 485.93 g/mol
• Exact Mass: 485.15
• IUPAC Name: 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide
• SMILES: Cc1cn(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NC[C@@H](O)CN1C(=O)CN(C)C1=O
• InChI: InChI=1S/C23H24ClN5O5/c1-12-8-28(10-17-16-6-14(24)4-5-18(16)26-21(17)32)13(2)20(12)22(33)25-7-15(30)9-29-19(31)11-27(3)23(29)34/h4-6,8,10,15,30H,7,9,11H2,1-3H3,(H,25,33)(H,26,32)/b17-10-/t15-/m1/s1
• InChIKey: VMUZJSZQZVSDEP-DISPHTKASA-N
• XLogP: 1.69
• TPSA: 123.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.93
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide?

The IUPAC name of 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide (CID 154453022) is 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide is Cc1cn(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NC[C@@H](O)CN1C(=O)CN(C)C1=O.

What is the InChIKey of 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide?

The InChIKey is VMUZJSZQZVSDEP-DISPHTKASA-N. The full InChI is InChI=1S/C23H24ClN5O5/c1-12-8-28(10-17-16-6-14(24)4-5-18(16)26-21(17)32)13(2)20(12)22(33)25-7-15(30)9-29-19(31)11-27(3)23(29)34/h4-6,8,10,15,30H,7,9,11H2,1-3H3,(H,25,33)(H,26,32)/b17-10-/t15-/m1/s1.

What are the key properties of 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide?

1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 485.93 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 154453022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).