(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione

C13H14ClN3O2 — CID 70551521

IUPAC(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)N(c2ccccc2Cl)C(=O)N1C
InChIInChI=1S/C13H14ClN3O2/c1-15(2)8-11-12(18)17(13(19)16(11)3)10-7-5-4-6-9(10)14/h4-8H,1-3H3/b11-8-
InChIKeyWZECHAHLXIJKAI-FLIBITNWSA-N
MW279.73 g/mol
LogP2.14
Rot. Bonds2

About (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione

(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione (PubChem CID 70551521) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione
PubChem CID70551521
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)N(c2ccccc2Cl)C(=O)N1C
InChIInChI=1S/C13H14ClN3O2/c1-15(2)8-11-12(18)17(13(19)16(11)3)10-7-5-4-6-9(10)14/h4-8H,1-3H3/b11-8-
InChIKeyWZECHAHLXIJKAI-FLIBITNWSA-N
XLogP2.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.14
H-Bond Donors ≤ 50
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

(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
CID 70552065
(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
CID 118143425
3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 12880006
(5Z)-3-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
CID 155548818
(5Z)-3-(2-chlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6447407
(5Z)-3-(2,5-difluorophenyl)-5-[(2-fluorophenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 22166030
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 56693031
1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
CID 15543976
3-(2-chlorophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009998
(15R,19R)-17-(2-chlorophenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40573589
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione (CID 70551521) is (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione is CN(C)/C=C1/C(=O)N(c2ccccc2Cl)C(=O)N1C.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione?
The InChIKey is WZECHAHLXIJKAI-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-15(2)8-11-12(18)17(13(19)16(11)3)10-7-5-4-6-9(10)14/h4-8H,1-3H3/b11-8-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione?
(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70551521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).