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

C12H15BF4N2OSe — CID 53309283

IUPAC1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate
SMILESCOc1ccccc1[Se]Cn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C12H15N2OSe.BF4/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2;2-1(3,4)5/h3-9H,10H2,1-2H3;/q+1;-1
InChIKeyQRACHXYGHXZHON-UHFFFAOYSA-N
MW369.03 g/mol
LogP1.61
Rot. Bonds4

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

1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate (PubChem CID 53309283) has the molecular formula C12H15BF4N2OSe and a molecular weight of 369.03 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate
PubChem CID53309283
Molecular FormulaC12H15BF4N2OSe
Molecular Weight369.03 g/mol
Exact Mass370.04
IUPAC Name1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate
SMILESCOc1ccccc1[Se]Cn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C12H15N2OSe.BF4/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2;2-1(3,4)5/h3-9H,10H2,1-2H3;/q+1;-1
InChIKeyQRACHXYGHXZHON-UHFFFAOYSA-N
XLogP1.61
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 51.61
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
CID 52921499
1-benzyl-3-methylimidazol-3-ium hexafluorophosphate
CID 11461285
1-methyl-3-[[2,3,4,5,6-pentakis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium
CID 101387085
2-(3-methylimidazol-3-ium-1-yl)ethyl 4-(2-formylphenoxy)butanoate tetrafluoroborate
CID 11327143
1-[(2-bromophenyl)methyl]-3-methylimidazol-3-ium bromide
CID 139081381
1-methyl-3-[3-(3-methylimidazol-3-ium-1-yl)-2-phenylmethoxypropyl]imidazol-1-ium
CID 139211386
2-methoxy-4-[2-(3-methylimidazol-3-ium-1-yl)ethyliminomethyl]phenol hexafluorophosphate
CID 139076706
ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
CID 87754387
1-[8-methoxy-1,4-bis(3-methylbutoxy)naphthalen-2-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone
CID 172824365
1-[[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methylimidazol-3-ium trihexafluorophosphate
CID 11585884
1-ethyl-3-methylimidazol-3-ium;phenyl carbonate
CID 139846060
2-[(3-methylimidazol-3-ium-1-yl)methyl]-6-[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridinyl]pyridine dihexafluorophosphate
CID 11250693

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate?
The IUPAC name of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate (CID 53309283) is 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate.
What is the SMILES notation for 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate?
The canonical SMILES for 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate is COc1ccccc1[Se]Cn1cc[n+](C)c1.F[B-](F)(F)F.
What is the InChIKey of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate?
The InChIKey is QRACHXYGHXZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2OSe.BF4/c1-13-7-8-14(9-13)10-16-12-6-4-3-5-11(12)15-2;2-1(3,4)5/h3-9H,10H2,1-2H3;/q+1;-1.
What are the key properties of 1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate?
1-[(2-methoxyphenyl)selanylmethyl]-3-methylimidazol-3-ium tetrafluoroborate has a molecular weight of 369.03 g/mol, XLogP of 1.61, 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 tetrafluoroborate is sourced from PubChem (CID 53309283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).