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

C20H31N3O — CID 141021639

IUPAC5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide
SMILESCC(C)(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C20H31N3O/c1-19(2,3)18-22-15(16(23-18)17(21)24)4-5-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,4-11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyOTMORTZZFOMADZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.96
Rot. Bonds4

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

5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide (PubChem CID 141021639) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide
PubChem CID141021639
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide
SMILESCC(C)(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C20H31N3O/c1-19(2,3)18-22-15(16(23-18)17(21)24)4-5-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,4-11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyOTMORTZZFOMADZ-UHFFFAOYSA-N
XLogP3.96
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.96
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-tert-butyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide (CID 141021639) is 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide is CC(C)(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide?
The InChIKey is OTMORTZZFOMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-19(2,3)18-22-15(16(23-18)17(21)24)4-5-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,4-11H2,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.96, 4 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-tert-butyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).