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

C19H27N3O — CID 141021665

IUPAC5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O/c20-17(23)16-15(21-18(22-16)14-1-2-14)3-4-19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14H,1-10H2,(H2,20,23)(H,21,22)
InChIKeyHVHUPKYFROFRMG-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.54
Rot. Bonds5

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

5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide (PubChem CID 141021665) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide
PubChem CID141021665
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O/c20-17(23)16-15(21-18(22-16)14-1-2-14)3-4-19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14H,1-10H2,(H2,20,23)(H,21,22)
InChIKeyHVHUPKYFROFRMG-UHFFFAOYSA-N
XLogP3.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.54
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-cyclopropyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide (CID 141021665) is 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide?
The InChIKey is HVHUPKYFROFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c20-17(23)16-15(21-18(22-16)14-1-2-14)3-4-19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14H,1-10H2,(H2,20,23)(H,21,22).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.54, 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-cyclopropyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).