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

C27H21ClN4O3 — CID 75193820

IUPAC5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(=Cc3c(-c4ccccc4)[nH]n(-c4ccccc4Cl)c3=O)C2=O)cc1
InChIInChI=1S/C27H21ClN4O3/c1-17-11-13-18(14-12-17)16-31-26(34)22(29-27(31)35)15-20-24(19-7-3-2-4-8-19)30-32(25(20)33)23-10-6-5-9-21(23)28/h2-15,30H,16H2,1H3,(H,29,35)
InChIKeyRLSBHCVSMJCBDL-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.89
Rot. Bonds5

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

5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 75193820) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID75193820
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC Name5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(=Cc3c(-c4ccccc4)[nH]n(-c4ccccc4Cl)c3=O)C2=O)cc1
InChIInChI=1S/C27H21ClN4O3/c1-17-11-13-18(14-12-17)16-31-26(34)22(29-27(31)35)15-20-24(19-7-3-2-4-8-19)30-32(25(20)33)23-10-6-5-9-21(23)28/h2-15,30H,16H2,1H3,(H,29,35)
InChIKeyRLSBHCVSMJCBDL-UHFFFAOYSA-N
XLogP4.89
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.89
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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Related Compounds

5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193888
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 75193959
5-[[2-(2,3-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193891
5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 78460286
3-[(3-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione
CID 75193890
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126234525
(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
CID 7206030
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
CID 1021327

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 75193820) is 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)NC(=Cc3c(-c4ccccc4)[nH]n(-c4ccccc4Cl)c3=O)C2=O)cc1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RLSBHCVSMJCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c1-17-11-13-18(14-12-17)16-31-26(34)22(29-27(31)35)15-20-24(19-7-3-2-4-8-19)30-32(25(20)33)23-10-6-5-9-21(23)28/h2-15,30H,16H2,1H3,(H,29,35).
What are the key properties of 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 484.94 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75193820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).