(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione

C20H18N4O4 — CID 9296744

IUPAC(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\C=C\c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C20H18N4O4/c1-2-20(16-11-4-3-5-12-16)18(25)23(19(26)22-20)21-14-8-10-15-9-6-7-13-17(15)24(27)28/h3-14H,2H2,1H3,(H,22,26)/b10-8+,21-14-/t20-/m1/s1
InChIKeyQUENHJGFCXEEQB-KYBHAFOPSA-N
MW378.39 g/mol
LogP3.45
Rot. Bonds6

About (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione (PubChem CID 9296744) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione
PubChem CID9296744
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\C=C\c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C20H18N4O4/c1-2-20(16-11-4-3-5-12-16)18(25)23(19(26)22-20)21-14-8-10-15-9-6-7-13-17(15)24(27)28/h3-14H,2H2,1H3,(H,22,26)/b10-8+,21-14-/t20-/m1/s1
InChIKeyQUENHJGFCXEEQB-KYBHAFOPSA-N
XLogP3.45
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296516
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione
CID 129421603
(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9297456
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 135800290

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione (CID 9296744) is (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(/N=C\C=C\c2ccccc2[N+](=O)[O-])C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is QUENHJGFCXEEQB-KYBHAFOPSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-2-20(16-11-4-3-5-12-16)18(25)23(19(26)22-20)21-14-8-10-15-9-6-7-13-17(15)24(27)28/h3-14H,2H2,1H3,(H,22,26)/b10-8+,21-14-/t20-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 378.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9296744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).