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

C19H29N3O — CID 141021573

IUPAC5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C19H29N3O/c1-11(2)18-21-15(16(22-18)17(20)23)3-4-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYGLRCSCOKAAAGQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.78
Rot. Bonds5

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

5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide (PubChem CID 141021573) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide
PubChem CID141021573
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C19H29N3O/c1-11(2)18-21-15(16(22-18)17(20)23)3-4-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYGLRCSCOKAAAGQ-UHFFFAOYSA-N
XLogP3.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.78
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-propan-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide (CID 141021573) is 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide is CC(C)c1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is YGLRCSCOKAAAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-11(2)18-21-15(16(22-18)17(20)23)3-4-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-propan-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.78, 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-propan-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).