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

C16H9Cl2N3O4 — CID 2188490

IUPAC(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2N3O4/c17-10-2-1-3-11(8-10)20-15(22)14(19-16(20)23)7-9-6-12(21(24)25)4-5-13(9)18/h1-8H,(H,19,23)/b14-7+
InChIKeyBJSFPMKUCGAEHR-VGOFMYFVSA-N
MW378.17 g/mol
LogP4.00
Rot. Bonds3

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

(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 2188490) has the molecular formula C16H9Cl2N3O4 and a molecular weight of 378.17 g/mol. Its IUPAC name is (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID2188490
Molecular FormulaC16H9Cl2N3O4
Molecular Weight378.17 g/mol
Exact Mass377.00
IUPAC Name(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2N3O4/c17-10-2-1-3-11(8-10)20-15(22)14(19-16(20)23)7-9-6-12(21(24)25)4-5-13(9)18/h1-8H,(H,19,23)/b14-7+
InChIKeyBJSFPMKUCGAEHR-VGOFMYFVSA-N
XLogP4.00
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126080475
(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)-1-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126220796
3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 3066797
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126078830
(5Z)-1-(3-chlorophenyl)-5-[(5-nitro-2-piperazin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 66522422
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241120
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126015358
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (CID 2188490) is (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is BJSFPMKUCGAEHR-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H9Cl2N3O4/c17-10-2-1-3-11(8-10)20-15(22)14(19-16(20)23)7-9-6-12(21(24)25)4-5-13(9)18/h1-8H,(H,19,23)/b14-7+.
What are the key properties of (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 378.17 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2188490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).