(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione

C16H14N4O4 — CID 139596203

IUPAC(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C16H14N4O4/c1-16(11-5-3-2-4-6-11)14(21)19(15(22)17-16)18-12-7-9-13(10-8-12)20(23)24/h2-10,18H,1H3,(H,17,22)/t16-/m0/s1
InChIKeyNEUPCEBHWCJPQK-INIZCTEOSA-N
MW326.31 g/mol
LogP2.39
Rot. Bonds4

About (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione

(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione (PubChem CID 139596203) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione
PubChem CID139596203
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C16H14N4O4/c1-16(11-5-3-2-4-6-11)14(21)19(15(22)17-16)18-12-7-9-13(10-8-12)20(23)24/h2-10,18H,1H3,(H,17,22)/t16-/m0/s1
InChIKeyNEUPCEBHWCJPQK-INIZCTEOSA-N
XLogP2.39
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione (CID 139596203) is (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione?
The InChIKey is NEUPCEBHWCJPQK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-16(11-5-3-2-4-6-11)14(21)19(15(22)17-16)18-12-7-9-13(10-8-12)20(23)24/h2-10,18H,1H3,(H,17,22)/t16-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione?
(5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione has a molecular weight of 326.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 139596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).