(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione

C27H21ClN4O3 — CID 24718498

IUPAC(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2c(Cc3ccccc3)[nH]n(-c3ccccc3)c2=O)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C27H21ClN4O3/c28-20-11-7-10-19(14-20)17-31-26(34)24(29-27(31)35)16-22-23(15-18-8-3-1-4-9-18)30-32(25(22)33)21-12-5-2-6-13-21/h1-14,16,30H,15,17H2,(H,29,35)/b24-16-
InChIKeyRIIZFWIBHJYSCO-JLPGSUDCSA-N
MW484.94 g/mol
LogP4.50
Rot. Bonds6

About (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 24718498) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID24718498
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC Name(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2c(Cc3ccccc3)[nH]n(-c3ccccc3)c2=O)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C27H21ClN4O3/c28-20-11-7-10-19(14-20)17-31-26(34)24(29-27(31)35)16-22-23(15-18-8-3-1-4-9-18)30-32(25(22)33)21-12-5-2-6-13-21/h1-14,16,30H,15,17H2,(H,29,35)/b24-16-
InChIKeyRIIZFWIBHJYSCO-JLPGSUDCSA-N
XLogP4.50
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 24718498) is (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C\c2c(Cc3ccccc3)[nH]n(-c3ccccc3)c2=O)C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RIIZFWIBHJYSCO-JLPGSUDCSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c28-20-11-7-10-19(14-20)17-31-26(34)24(29-27(31)35)16-22-23(15-18-8-3-1-4-9-18)30-32(25(22)33)21-12-5-2-6-13-21/h1-14,16,30H,15,17H2,(H,29,35)/b24-16-.
What are the key properties of (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 484.94 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24718498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).