5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole

C24H38N2 — CID 141021577

IUPAC5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole
SMILESCC(C)C1CCC(c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CC1
InChIInChI=1S/C24H38N2/c1-16(2)20-3-5-21(6-4-20)23-25-15-22(26-23)7-8-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-21H,3-14H2,1-2H3,(H,25,26)
InChIKeyOBIMMUDWLAGYAU-UHFFFAOYSA-N
MW354.58 g/mol
LogP6.49
Rot. Bonds5

About 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole

5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole (PubChem CID 141021577) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole
PubChem CID141021577
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole
SMILESCC(C)C1CCC(c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CC1
InChIInChI=1S/C24H38N2/c1-16(2)20-3-5-21(6-4-20)23-25-15-22(26-23)7-8-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-21H,3-14H2,1-2H3,(H,25,26)
InChIKeyOBIMMUDWLAGYAU-UHFFFAOYSA-N
XLogP6.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole (CID 141021577) is 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole is CC(C)C1CCC(c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CC1.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole?
The InChIKey is OBIMMUDWLAGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-16(2)20-3-5-21(6-4-20)23-25-15-22(26-23)7-8-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-21H,3-14H2,1-2H3,(H,25,26).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole?
5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole has a molecular weight of 354.58 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-(4-propan-2-ylcyclohexyl)-1H-imidazole is sourced from PubChem (CID 141021577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).