5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole

C22H34N2 — CID 141021654

IUPAC5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole
SMILESCn1c(CCC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1
InChIInChI=1S/C22H34N2/c1-24-20(15-23-21(24)19-5-3-2-4-6-19)7-8-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19H,2-14H2,1H3
InChIKeyTYUOMDMJUFEEOA-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.62
Rot. Bonds4

About 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole

5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole (PubChem CID 141021654) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole
PubChem CID141021654
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole
SMILESCn1c(CCC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1
InChIInChI=1S/C22H34N2/c1-24-20(15-23-21(24)19-5-3-2-4-6-19)7-8-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19H,2-14H2,1H3
InChIKeyTYUOMDMJUFEEOA-UHFFFAOYSA-N
XLogP5.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-adamantyl)-2-methyl-1H-imidazole
CID 3116427
1,5-Dicyclohexylimidazole
CID 719789
2-Tert-butyl-5-[2-(4,4-difluorocyclohexyl)-2-methylpropyl]-1-methylimidazole
CID 126735644
5-(4-Fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole
CID 142265867
2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 4286313
4-Cyclohexyl-1-methylimidazole
CID 53852293
1,5-Bis(1-adamantyl)imidazole
CID 57341584
2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole
CID 91474505
2-(3,4-Dicyclohexylimidazol-1-ium-1-yl)acetonitrile bromide
CID 10154985
2-(3,4-Dicyclohexylimidazol-1-ium-1-yl)acetonitrile
CID 10154986
1-Methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole
CID 22891094
1,3-Dimethyl-4-nonan-3-ylimidazol-1-ium
CID 53932587

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole (CID 141021654) is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole is Cn1c(CCC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole?
The InChIKey is TYUOMDMJUFEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-24-20(15-23-21(24)19-5-3-2-4-6-19)7-8-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19H,2-14H2,1H3.
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole?
5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole has a molecular weight of 326.53 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole is sourced from PubChem (CID 141021654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).