N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide

C16H15N3O3 — CID 163117059

IUPACN-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide
SMILESC[C@]1(c2ccccc2)N=C(c2ccc([NH+]([O-])O)cc2)NC1=O
InChIInChI=1S/C16H15N3O3/c1-16(12-5-3-2-4-6-12)15(20)17-14(18-16)11-7-9-13(10-8-11)19(21)22/h2-10,19,21H,1H3,(H,17,18,20)/t16-/m1/s1
InChIKeyAEILFCWQFPGBQO-MRXNPFEDSA-N
MW297.31 g/mol
LogP0.88
Rot. Bonds3

About N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide

N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide (PubChem CID 163117059) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide
PubChem CID163117059
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide
SMILESC[C@]1(c2ccccc2)N=C(c2ccc([NH+]([O-])O)cc2)NC1=O
InChIInChI=1S/C16H15N3O3/c1-16(12-5-3-2-4-6-12)15(20)17-14(18-16)11-7-9-13(10-8-11)19(21)22/h2-10,19,21H,1H3,(H,17,18,20)/t16-/m1/s1
InChIKeyAEILFCWQFPGBQO-MRXNPFEDSA-N
XLogP0.88
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
CID 139822658
N-hydroxy-4-(1,4,4-trimethyl-5-oxoimidazol-2-yl)benzeneamine oxide
CID 163176343
4-methyl-4-phenyl-2-(sulfanylmethyl)-1H-imidazol-5-one
CID 140999822
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
CID 21466586
2-methyl-2,3-diphenylazirine
CID 13307627
2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
CID 106953323
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate
CID 7332753
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
N-hydroxy-4-(2-oxo-1,3-dithiol-4-yl)benzeneamine oxide
CID 21140548
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
CID 163644161

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide (CID 163117059) is N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide is C[C@]1(c2ccccc2)N=C(c2ccc([NH+]([O-])O)cc2)NC1=O.
What is the InChIKey of N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide?
The InChIKey is AEILFCWQFPGBQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-16(12-5-3-2-4-6-12)15(20)17-14(18-16)11-7-9-13(10-8-11)19(21)22/h2-10,19,21H,1H3,(H,17,18,20)/t16-/m1/s1.
What are the key properties of N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide?
N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide has a molecular weight of 297.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide is sourced from PubChem (CID 163117059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).