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

C22H33N3O — CID 141021658

IUPAC5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H33N3O/c23-21(26)20-19(24-22(25-20)15-4-2-1-3-5-15)7-6-18-16-9-13-8-14(11-16)12-17(18)10-13/h13-18H,1-12H2,(H2,23,26)(H,24,25)
InChIKeyKMLWSBMEGPBECZ-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.56
Rot. Bonds5

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

5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (PubChem CID 141021658) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
PubChem CID141021658
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H33N3O/c23-21(26)20-19(24-22(25-20)15-4-2-1-3-5-15)7-6-18-16-9-13-8-14(11-16)12-17(18)10-13/h13-18H,1-12H2,(H2,23,26)(H,24,25)
InChIKeyKMLWSBMEGPBECZ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (CID 141021658) is 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCCC2)[nH]c1CCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The InChIKey is KMLWSBMEGPBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c23-21(26)20-19(24-22(25-20)15-4-2-1-3-5-15)7-6-18-16-9-13-8-14(11-16)12-17(18)10-13/h13-18H,1-12H2,(H2,23,26)(H,24,25).
What are the key properties of 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).