1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium

C12H15N2OSe+ — CID 52921499

IUPAC1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium
SMILESCOc1ccccc1[Se]Cn1cc[n+](C)c1
InChIInChI=1S/C12H15N2OSe/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2/h3-9H,10H2,1-2H3/q+1
InChIKeyHVNKTSCVBHYWKX-UHFFFAOYSA-N
MW282.23 g/mol
LogP0.31
Rot. Bonds4

About 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium

1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium (PubChem CID 52921499) has the molecular formula C12H15N2OSe+ and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium
PubChem CID52921499
Molecular FormulaC12H15N2OSe+
Molecular Weight282.23 g/mol
Exact Mass283.03
IUPAC Name1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium
SMILESCOc1ccccc1[Se]Cn1cc[n+](C)c1
InChIInChI=1S/C12H15N2OSe/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2/h3-9H,10H2,1-2H3/q+1
InChIKeyHVNKTSCVBHYWKX-UHFFFAOYSA-N
XLogP0.31
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate
CID 53309283
1-methyl-3-[[2,3,4,5,6-pentakis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium
CID 101387085
1-benzyl-3-methylimidazol-3-ium chloride
CID 10560335
1-benzyl-3-methylimidazol-3-ium hexafluorophosphate
CID 11461285
2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[(2-methoxyphenyl)iminomethyl]benzoate hexafluorophosphate
CID 16752873
2-methoxy-4-[2-(3-methylimidazol-3-ium-1-yl)ethyliminomethyl]phenol hexafluorophosphate
CID 139076706
1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride
CID 87308469
1-[(4-iodophenyl)methyl]-3-methylimidazol-3-ium
CID 101485054
3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3-benzothiazol-3-ium
CID 177422665
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-[8-methoxy-1,4-bis(3-methylbutoxy)naphthalen-2-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone
CID 172824365

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium?
The IUPAC name of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium (CID 52921499) is 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium.
What is the SMILES notation for 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium?
The canonical SMILES for 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium is COc1ccccc1[Se]Cn1cc[n+](C)c1.
What is the InChIKey of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium?
The InChIKey is HVNKTSCVBHYWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2OSe/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2/h3-9H,10H2,1-2H3/q+1.
What are the key properties of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium?
1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium has a molecular weight of 282.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium is sourced from PubChem (CID 52921499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).