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

C22H33N3O — CID 141021601

IUPAC5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33N3O/c23-20(26)19-18(24-21(25-19)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,(H2,23,26)(H,24,25)
InChIKeyOBWBOFBMRLEUJN-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.71
Rot. Bonds5

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

5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (PubChem CID 141021601) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
PubChem CID141021601
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33N3O/c23-20(26)19-18(24-21(25-19)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,(H2,23,26)(H,24,25)
InChIKeyOBWBOFBMRLEUJN-UHFFFAOYSA-N
XLogP4.71
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.71
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-cyclohexyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (CID 141021601) is 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The InChIKey is OBWBOFBMRLEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c23-20(26)19-18(24-21(25-19)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,(H2,23,26)(H,24,25).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 4.71, 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-carboxamide is sourced from PubChem (CID 141021601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).