(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one

C10H11N3O5 — CID 171252740

IUPAC(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
SMILESCOc1cc([C@H]2CNC(=O)N2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11N3O5/c1-18-8-3-5(6-4-11-10(15)12-6)2-7(9(8)14)13(16)17/h2-3,6,14H,4H2,1H3,(H2,11,12,15)/t6-/m1/s1
InChIKeyJGFSMNZMHAQQQC-ZCFIWIBFSA-N
MW253.21 g/mol
LogP0.66
Rot. Bonds3

About (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one

(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one (PubChem CID 171252740) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
PubChem CID171252740
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
SMILESCOc1cc([C@H]2CNC(=O)N2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11N3O5/c1-18-8-3-5(6-4-11-10(15)12-6)2-7(9(8)14)13(16)17/h2-3,6,14H,4H2,1H3,(H2,11,12,15)/t6-/m1/s1
InChIKeyJGFSMNZMHAQQQC-ZCFIWIBFSA-N
XLogP0.66
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
2-methoxy-4-morpholin-3-yl-6-nitrophenol
CID 116987656
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917100
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679
5-acetyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-1,3-diazinan-2-one
CID 4747333
ethyl (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1112395
methyl (6S)-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310374
ethyl 6-ethyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843777
propyl (4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7071287
propyl (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7071285
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
methyl 6-butyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843787

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one (CID 171252740) is (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one is COc1cc([C@H]2CNC(=O)N2)cc([N+](=O)[O-])c1O.
What is the InChIKey of (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one?
The InChIKey is JGFSMNZMHAQQQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-18-8-3-5(6-4-11-10(15)12-6)2-7(9(8)14)13(16)17/h2-3,6,14H,4H2,1H3,(H2,11,12,15)/t6-/m1/s1.
What are the key properties of (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one?
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one has a molecular weight of 253.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).