(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione

C17H11Cl2FN2O2 — CID 6269109

IUPAC(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2FN2O2/c18-11-6-4-10(5-7-11)9-22-16(23)15(21-17(22)24)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H,21,24)/b15-8-
InChIKeyWSTNFBNPMQDCJZ-NVNXTCNLSA-N
MW365.19 g/mol
LogP4.23
Rot. Bonds3

About (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 6269109) has the molecular formula C17H11Cl2FN2O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID6269109
Molecular FormulaC17H11Cl2FN2O2
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2FN2O2/c18-11-6-4-10(5-7-11)9-22-16(23)15(21-17(22)24)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H,21,24)/b15-8-
InChIKeyWSTNFBNPMQDCJZ-NVNXTCNLSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245366
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697530
(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 1277904
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126110932
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126234525
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 697026

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 6269109) is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is WSTNFBNPMQDCJZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O2/c18-11-6-4-10(5-7-11)9-22-16(23)15(21-17(22)24)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H,21,24)/b15-8-.
What are the key properties of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 365.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 6269109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).