5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione

C18H17N3O4 — CID 10664801

IUPAC5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H17N3O4/c1-18(14-5-3-2-4-6-14)16(22)20(17(23)19-18)12-11-13-7-9-15(10-8-13)21(24)25/h2-10H,11-12H2,1H3,(H,19,23)
InChIKeyQMSMHKNCCSGEOW-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.60
Rot. Bonds5

About 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione

5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 10664801) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID10664801
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H17N3O4/c1-18(14-5-3-2-4-6-14)16(22)20(17(23)19-18)12-11-13-7-9-15(10-8-13)21(24)25/h2-10H,11-12H2,1H3,(H,19,23)
InChIKeyQMSMHKNCCSGEOW-UHFFFAOYSA-N
XLogP2.60
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
5-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 75394000
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24565834
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
(5S)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 94130619
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180260
ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 97320229

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione (CID 10664801) is 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is QMSMHKNCCSGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-18(14-5-3-2-4-6-14)16(22)20(17(23)19-18)12-11-13-7-9-15(10-8-13)21(24)25/h2-10H,11-12H2,1H3,(H,19,23).
What are the key properties of 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione?
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10664801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).