5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione

C19H19N3O5 — CID 17395982

IUPAC5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCOc2ccccc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-19(14-8-10-15(11-9-14)22(25)26)17(23)21(18(24)20-19)12-5-13-27-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,20,24)
InChIKeyFHVCZDLPEOBECZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.83
Rot. Bonds7

About 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione

5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione (PubChem CID 17395982) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
PubChem CID17395982
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCOc2ccccc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-19(14-8-10-15(11-9-14)22(25)26)17(23)21(18(24)20-19)12-5-13-27-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,20,24)
InChIKeyFHVCZDLPEOBECZ-UHFFFAOYSA-N
XLogP2.83
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 60524357
ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 97320229
2-[3-(4-nitrophenoxy)propyl]isoindole-1,3-dione
CID 11151533
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
5-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 75394000

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione (CID 17395982) is 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione is CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCOc2ccccc2)C1=O.
What is the InChIKey of 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The InChIKey is FHVCZDLPEOBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-19(14-8-10-15(11-9-14)22(25)26)17(23)21(18(24)20-19)12-5-13-27-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,20,24).
What are the key properties of 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17395982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).