5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione

C12H13N3O5 — CID 82098446

IUPAC5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)c([N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O5/c1-3-12(10(16)13-11(17)14-12)7-4-5-9(20-2)8(6-7)15(18)19/h4-6H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyKDGBQKJGYCHKNP-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.05
Rot. Bonds4

About 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione

5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 82098446) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione
PubChem CID82098446
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)c([N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O5/c1-3-12(10(16)13-11(17)14-12)7-4-5-9(20-2)8(6-7)15(18)19/h4-6H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyKDGBQKJGYCHKNP-UHFFFAOYSA-N
XLogP1.05
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
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

5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 71683811
5-(3,4-dinitrophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 71372442
(5S)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7128778
methyl 1-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxylate
CID 59129309
2,2-diethyl-3-(4-methoxy-3-nitrophenoxy)cyclobutan-1-one
CID 103202314
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
4-methoxy-3-nitrobenzaldehyde
CID 700608
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione (CID 82098446) is 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione is CCC1(c2ccc(OC)c([N+](=O)[O-])c2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is KDGBQKJGYCHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-3-12(10(16)13-11(17)14-12)7-4-5-9(20-2)8(6-7)15(18)19/h4-6H,3H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione?
5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 279.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-methoxy-3-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).