(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione

C17H12ClN3O5 — CID 126080475

IUPAC(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H12ClN3O5/c1-26-15-6-5-13(21(24)25)7-10(15)8-14-16(22)20(17(23)19-14)12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,23)/b14-8+
InChIKeyXXOUGHJSFULGPU-RIYZIHGNSA-N
MW373.75 g/mol
LogP3.35
Rot. Bonds4

About (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126080475) has the molecular formula C17H12ClN3O5 and a molecular weight of 373.75 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126080475
Molecular FormulaC17H12ClN3O5
Molecular Weight373.75 g/mol
Exact Mass373.05
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H12ClN3O5/c1-26-15-6-5-13(21(24)25)7-10(15)8-14-16(22)20(17(23)19-14)12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,23)/b14-8+
InChIKeyXXOUGHJSFULGPU-RIYZIHGNSA-N
XLogP3.35
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 2188490
(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177854
(5E)-5-[(2-methoxy-5-nitrophenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1358039
(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 5431191
5-[[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 1285570
3-(3-chlorophenyl)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004687
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126078830
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44713962
(5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435152
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126172739
1-(4-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91249309

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 126080475) is (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione is COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XXOUGHJSFULGPU-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H12ClN3O5/c1-26-15-6-5-13(21(24)25)7-10(15)8-14-16(22)20(17(23)19-14)12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,23)/b14-8+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 373.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126080475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).