5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C19H19N3O5 — CID 71915407

IUPAC5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C)cc1C1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-12-4-9-16(27-3)15(10-12)19(2)17(23)21(18(24)20-19)11-13-5-7-14(8-6-13)22(25)26/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyLFZCJNJSMRCYGR-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.88
Rot. Bonds5

About 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 71915407) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID71915407
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C)cc1C1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-12-4-9-16(27-3)15(10-12)19(2)17(23)21(18(24)20-19)11-13-5-7-14(8-6-13)22(25)26/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyLFZCJNJSMRCYGR-UHFFFAOYSA-N
XLogP2.88
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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

(5R)-3-[(2-methoxy-5-methylphenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7627670
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7566120
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 17397810
5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 60524357
2-[4-(2-methoxy-5-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 71915404
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 71915407) is 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is COc1ccc(C)cc1C1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is LFZCJNJSMRCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-4-9-16(27-3)15(10-12)19(2)17(23)21(18(24)20-19)11-13-5-7-14(8-6-13)22(25)26/h4-10H,11H2,1-3H3,(H,20,24).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71915407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).