(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

C17H13ClN2O3 — CID 2177854

IUPAC(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1/C=C1\NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-15-8-7-12(18)9-11(15)10-14-16(21)20(17(22)19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)/b14-10-
InChIKeyMAHCWAKQPZAERG-UVTDQMKNSA-N
MW328.76 g/mol
LogP3.45
Rot. Bonds3

About (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2177854) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2177854
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1/C=C1\NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-15-8-7-12(18)9-11(15)10-14-16(21)20(17(22)19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)/b14-10-
InChIKeyMAHCWAKQPZAERG-UVTDQMKNSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126080475
(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 5431191
(5Z)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177829
(5E)-3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 1209667
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2925977
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
3-(3-chlorophenyl)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004687
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126016068
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
(5E)-5-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 21214583

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2177854) is (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is COc1ccc(Cl)cc1/C=C1\NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is MAHCWAKQPZAERG-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-15-8-7-12(18)9-11(15)10-14-16(21)20(17(22)19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)/b14-10-.
What are the key properties of (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 328.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2177854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).