(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione

C17H16N4O5 — CID 9349691

IUPAC(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc([N+](=O)[O-])o2)C1=O
InChIInChI=1S/C17H16N4O5/c1-17(10-9-12-5-3-2-4-6-12)15(22)20(16(23)19-17)18-11-13-7-8-14(26-13)21(24)25/h2-8,11H,9-10H2,1H3,(H,19,23)/b18-11-/t17-/m1/s1
InChIKeyVRJNSDSAHRHHFV-LVSMMTLPSA-N
MW356.34 g/mol
LogP2.46
Rot. Bonds6

About (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 9349691) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID9349691
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc([N+](=O)[O-])o2)C1=O
InChIInChI=1S/C17H16N4O5/c1-17(10-9-12-5-3-2-4-6-12)15(22)20(16(23)19-17)18-11-13-7-8-14(26-13)21(24)25/h2-8,11H,9-10H2,1H3,(H,19,23)/b18-11-/t17-/m1/s1
InChIKeyVRJNSDSAHRHHFV-LVSMMTLPSA-N
XLogP2.46
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(5R)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349922
(5S)-5-methyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349665
(5R)-3-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135788096
(5S)-5-methyl-5-(2-phenylethyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9349777
(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9045219
(5R)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349955
2-methoxy-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]-6-nitrophenolate
CID 9349944
(5R)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349951
(5S)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349946
(5S)-3-[(Z)-(2,3-dichlorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349724
8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2525139

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 9349691) is (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc([N+](=O)[O-])o2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is VRJNSDSAHRHHFV-LVSMMTLPSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-17(10-9-12-5-3-2-4-6-12)15(22)20(16(23)19-17)18-11-13-7-8-14(26-13)21(24)25/h2-8,11H,9-10H2,1H3,(H,19,23)/b18-11-/t17-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 356.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9349691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).