lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate

C12H13LiN2Se — CID 102492610

IUPAClithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
SMILESCc1cc(C)c(-n2ccnc2[Se-])c(C)c1.[Li+]
InChIInChI=1S/C12H14N2Se.Li/c1-8-6-9(2)11(10(3)7-8)14-5-4-13-12(14)15;/h4-7H,1-3H3,(H,13,15);/q;+1/p-1
InChIKeyDWAKAZSFLRWMPB-UHFFFAOYSA-M
MW271.15 g/mol
LogP-1.40
Rot. Bonds1

About lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate

lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate (PubChem CID 102492610) has the molecular formula C12H13LiN2Se and a molecular weight of 271.15 g/mol. Its IUPAC name is lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate.

Molecular Properties

Compound Namelithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
PubChem CID102492610
Molecular FormulaC12H13LiN2Se
Molecular Weight271.15 g/mol
Exact Mass272.04
IUPAC Namelithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
SMILESCc1cc(C)c(-n2ccnc2[Se-])c(C)c1.[Li+]
InChIInChI=1S/C12H14N2Se.Li/c1-8-6-9(2)11(10(3)7-8)14-5-4-13-12(14)15;/h4-7H,1-3H3,(H,13,15);/q;+1/p-1
InChIKeyDWAKAZSFLRWMPB-UHFFFAOYSA-M
XLogP-1.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
CID 11370929
2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 140703360
2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063379
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 159306749
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
CID 144725386
1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 70402886
2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 7574687

Frequently Asked Questions

What is the IUPAC name of lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate?
The IUPAC name of lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate (CID 102492610) is lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate.
What is the SMILES notation for lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate?
The canonical SMILES for lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate is Cc1cc(C)c(-n2ccnc2[Se-])c(C)c1.[Li+].
What is the InChIKey of lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate?
The InChIKey is DWAKAZSFLRWMPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2Se.Li/c1-8-6-9(2)11(10(3)7-8)14-5-4-13-12(14)15;/h4-7H,1-3H3,(H,13,15);/q;+1/p-1.
What are the key properties of lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate?
lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate has a molecular weight of 271.15 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate is sourced from PubChem (CID 102492610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).