3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C19H17N3O4 — CID 84601341

IUPAC3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4/c23-17-19(10-9-13-5-1-2-6-14(13)11-19)20-18(24)21(17)12-15-7-3-4-8-16(15)22(25)26/h1-8H,9-12H2,(H,20,24)
InChIKeyRKLCZPGGPPTLPG-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.57
Rot. Bonds3

About 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 84601341) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID84601341
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4/c23-17-19(10-9-13-5-1-2-6-14(13)11-19)20-18(24)21(17)12-15-7-3-4-8-16(15)22(25)26/h1-8H,9-12H2,(H,20,24)
InChIKeyRKLCZPGGPPTLPG-UHFFFAOYSA-N
XLogP2.57
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.57
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

(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759
(5S)-5-benzyl-3-[(2-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7637567
3'-[(4-ethenylphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 102308466
3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 86982252
3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112787626
3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 138996814
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 84601346
2-[4-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]phenyl]benzonitrile
CID 55512352
3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112774148
3'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 136537327
(2-nitrophenyl)methyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 47003906

Frequently Asked Questions

What is the IUPAC name of 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 84601341) is 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is RKLCZPGGPPTLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17-19(10-9-13-5-1-2-6-14(13)11-19)20-18(24)21(17)12-15-7-3-4-8-16(15)22(25)26/h1-8H,9-12H2,(H,20,24).
What are the key properties of 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 351.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 84601341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).