lithium 1-cyclohexyl-5-methyl-2-phenylimidazole

C16H19LiN2 — CID 58162948

IUPAClithium 1-cyclohexyl-5-methyl-2-phenylimidazole
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Li+]
InChIInChI=1S/C16H19N2.Li/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;+1
InChIKeyWSHIDAKFXZBPMV-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.17
Rot. Bonds2

About lithium 1-cyclohexyl-5-methyl-2-phenylimidazole

lithium 1-cyclohexyl-5-methyl-2-phenylimidazole (PubChem CID 58162948) has the molecular formula C16H19LiN2 and a molecular weight of 246.28 g/mol. Its IUPAC name is lithium 1-cyclohexyl-5-methyl-2-phenylimidazole.

Molecular Properties

Compound Namelithium 1-cyclohexyl-5-methyl-2-phenylimidazole
PubChem CID58162948
Molecular FormulaC16H19LiN2
Molecular Weight246.28 g/mol
Exact Mass246.17
IUPAC Namelithium 1-cyclohexyl-5-methyl-2-phenylimidazole
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Li+]
InChIInChI=1S/C16H19N2.Li/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;+1
InChIKeyWSHIDAKFXZBPMV-UHFFFAOYSA-N
XLogP1.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-cyclohexyl-5-methyl-2-phenylimidazole?
The IUPAC name of lithium 1-cyclohexyl-5-methyl-2-phenylimidazole (CID 58162948) is lithium 1-cyclohexyl-5-methyl-2-phenylimidazole.
What is the SMILES notation for lithium 1-cyclohexyl-5-methyl-2-phenylimidazole?
The canonical SMILES for lithium 1-cyclohexyl-5-methyl-2-phenylimidazole is Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Li+].
What is the InChIKey of lithium 1-cyclohexyl-5-methyl-2-phenylimidazole?
The InChIKey is WSHIDAKFXZBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2.Li/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;+1.
What are the key properties of lithium 1-cyclohexyl-5-methyl-2-phenylimidazole?
lithium 1-cyclohexyl-5-methyl-2-phenylimidazole has a molecular weight of 246.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-cyclohexyl-5-methyl-2-phenylimidazole is sourced from PubChem (CID 58162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).