2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium

C18H18N2O2 — CID 781306

IUPAC2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium
SMILESCOc1ccccc1C1=[N+]([O-])C(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C18H18N2O2/c1-18(2)16(13-9-5-4-6-10-13)19-17(20(18)21)14-11-7-8-12-15(14)22-3/h4-12H,1-3H3
InChIKeyAYALQISXPQZMQW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium

2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium (PubChem CID 781306) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium
PubChem CID781306
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium
SMILESCOc1ccccc1C1=[N+]([O-])C(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C18H18N2O2/c1-18(2)16(13-9-5-4-6-10-13)19-17(20(18)21)14-11-7-8-12-15(14)22-3/h4-12H,1-3H3
InChIKeyAYALQISXPQZMQW-UHFFFAOYSA-N
XLogP3.23
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 23135803
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
3-(2-methoxyphenyl)pyridine
CID 4133297
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium?
The IUPAC name of 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium (CID 781306) is 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium.
What is the SMILES notation for 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium?
The canonical SMILES for 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium is COc1ccccc1C1=[N+]([O-])C(C)(C)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium?
The InChIKey is AYALQISXPQZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2)16(13-9-5-4-6-10-13)19-17(20(18)21)14-11-7-8-12-15(14)22-3/h4-12H,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium?
2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium has a molecular weight of 294.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium is sourced from PubChem (CID 781306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).