5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid

C22H32N2O2 — CID 18405518

IUPAC5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c25-21(26)19-18(23-20(24-19)17-4-2-1-3-5-17)6-7-22-11-14-8-15(12-22)10-16(9-14)13-22/h14-17H,1-13H2,(H,23,24)(H,25,26)
InChIKeyPQXODCONICGQAE-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.30
Rot. Bonds5

About 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid

5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid (PubChem CID 18405518) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid
PubChem CID18405518
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c25-21(26)19-18(23-20(24-19)17-4-2-1-3-5-17)6-7-22-11-14-8-15(12-22)10-16(9-14)13-22/h14-17H,1-13H2,(H,23,24)(H,25,26)
InChIKeyPQXODCONICGQAE-UHFFFAOYSA-N
XLogP5.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3011550
CID 3011550
CID 3011563
CID 3011563
CID 3011565
CID 3011565
CID 3006262
CID 3006262
CID 3006275
CID 3006275
CID 18405353
CID 18405353
CID 18405411
CID 18405411
CID 18405540
CID 18405540
CID 18405557
CID 18405557
CID 18405566
CID 18405566
CID 18405623
CID 18405623
CID 18405682
CID 18405682

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid (CID 18405518) is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The InChIKey is PQXODCONICGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(26)19-18(23-20(24-19)17-4-2-1-3-5-17)6-7-22-11-14-8-15(12-22)10-16(9-14)13-22/h14-17H,1-13H2,(H,23,24)(H,25,26).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid has a molecular weight of 356.51 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 18405518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).