1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium

C12H15N2Se+ — CID 102101332

IUPAC1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium
SMILESC[n+]1ccn(CC[Se]c2ccccc2)c1
InChIInChI=1S/C12H15N2Se/c1-13-7-8-14(11-13)9-10-15-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3/q+1
InChIKeyLAEJQWDLJFNQBU-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium

1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium (PubChem CID 102101332) has the molecular formula C12H15N2Se+ and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium
PubChem CID102101332
Molecular FormulaC12H15N2Se+
Molecular Weight266.23 g/mol
Exact Mass267.04
IUPAC Name1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium
SMILESC[n+]1ccn(CC[Se]c2ccccc2)c1
InChIInChI=1S/C12H15N2Se/c1-13-7-8-14(11-13)9-10-15-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3/q+1
InChIKeyLAEJQWDLJFNQBU-UHFFFAOYSA-N
XLogP0.76
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[1-(3-iodophenyl)-2-phenylselanylethoxy]ethyl]-3-methylimidazol-3-ium
CID 139217839
1-benzyl-3-methylimidazol-3-ium chloride
CID 10560335
1-benzyl-3-methylimidazol-3-ium;gold(1+);chloride
CID 25070370
2-(3-methylimidazol-3-ium-1-yl)-N,N-bis[2-(3-methylimidazol-3-ium-1-yl)ethyl]ethanamine
CID 88562344
1-[2-(1-butoxy-3-phenylselanylpropan-2-yl)oxyethyl]-3-methylimidazol-3-ium tetrafluoroborate
CID 139217846
1-benzyl-3-methylimidazol-3-ium hexafluorophosphate
CID 11461285
1-methyl-3-propylimidazol-1-ium iodide
CID 12971008
1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-methyl-3-propylimidazol-1-ium;hydrofluoride
CID 175047022
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-[(2-bromophenyl)methyl]-3-methylimidazol-3-ium bromide
CID 139081381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium?
The IUPAC name of 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium (CID 102101332) is 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium.
What is the SMILES notation for 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium?
The canonical SMILES for 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium is C[n+]1ccn(CC[Se]c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium?
The InChIKey is LAEJQWDLJFNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2Se/c1-13-7-8-14(11-13)9-10-15-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3/q+1.
What are the key properties of 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium?
1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium has a molecular weight of 266.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylselanylethyl)imidazol-1-ium is sourced from PubChem (CID 102101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).