3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium

C16H16N2O2 — CID 11011000

IUPAC3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
SMILESCOc1ccc(N2CC(c3ccccc3)=[N+]([O-])C2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)17-11-16(18(19)12-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyYZYAJEVEWSZXLH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.47
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium

3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium (PubChem CID 11011000) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
PubChem CID11011000
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
SMILESCOc1ccc(N2CC(c3ccccc3)=[N+]([O-])C2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)17-11-16(18(19)12-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyYZYAJEVEWSZXLH-UHFFFAOYSA-N
XLogP2.47
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane
CID 11048737
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
1-(4-methoxyphenyl)piperidine
CID 10130315
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
CID 15908643
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
3-(4-methoxyphenyl)-1-oxido-2-phenyl-2,4-dihydroimidazol-1-ium
CID 102509143
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
CID 56689852

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The IUPAC name of 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium (CID 11011000) is 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The canonical SMILES for 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium is COc1ccc(N2CC(c3ccccc3)=[N+]([O-])C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The InChIKey is YZYAJEVEWSZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)17-11-16(18(19)12-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium has a molecular weight of 268.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium is sourced from PubChem (CID 11011000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).