(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one

C10H11N3O4 — CID 171252695

IUPAC(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)N2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-17-9-3-2-6(4-8(9)13(15)16)7-5-11-10(14)12-7/h2-4,7H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1
InChIKeyAJNAEPUGFPVBHK-SSDOTTSWSA-N
MW237.21 g/mol
LogP0.96
Rot. Bonds3

About (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one

(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one (PubChem CID 171252695) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
PubChem CID171252695
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)N2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-17-9-3-2-6(4-8(9)13(15)16)7-5-11-10(14)12-7/h2-4,7H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1
InChIKeyAJNAEPUGFPVBHK-SSDOTTSWSA-N
XLogP0.96
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
5-acetyl-4-(4-methoxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 50888139
4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
CID 169224101
4-(4-methoxy-3-nitrophenyl)oxane-2,6-dione
CID 121001788
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
CID 171252708
5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene
CID 10150215

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one (CID 171252695) is (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one is COc1ccc([C@H]2CNC(=O)N2)cc1[N+](=O)[O-].
What is the InChIKey of (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one?
The InChIKey is AJNAEPUGFPVBHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-9-3-2-6(4-8(9)13(15)16)7-5-11-10(14)12-7/h2-4,7H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one?
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one has a molecular weight of 237.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).