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

C22H26N2O2 — CID 11573861

IUPAC5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2O2/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/h1-5,14-16H,6-13H2,(H,23,24)(H,25,26)
InChIKeyLHZZWUVASNXNGW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.92
Rot. Bonds5

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

5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid (PubChem CID 11573861) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid
PubChem CID11573861
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2O2/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/h1-5,14-16H,6-13H2,(H,23,24)(H,25,26)
InChIKeyLHZZWUVASNXNGW-UHFFFAOYSA-N
XLogP4.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid (CID 11573861) is 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-phenyl-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-phenyl-1H-imidazole-4-carboxylic acid?
The InChIKey is LHZZWUVASNXNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/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/h1-5,14-16H,6-13H2,(H,23,24)(H,25,26).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid?
5-[2-(1-adamantyl)ethyl]-2-phenyl-1H-imidazole-4-carboxylic acid has a molecular weight of 350.46 g/mol, XLogP of 4.92, 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-phenyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 11573861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).