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

C19H29N3O — CID 141021579

IUPAC5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C19H29N3O/c1-2-3-16-21-15(17(22-16)18(20)23)4-5-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H2,20,23)(H,21,22)
InChIKeyAPEMAYGHMNQBAQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.61
Rot. Bonds6

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

5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide (PubChem CID 141021579) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide
PubChem CID141021579
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C19H29N3O/c1-2-3-16-21-15(17(22-16)18(20)23)4-5-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H2,20,23)(H,21,22)
InChIKeyAPEMAYGHMNQBAQ-UHFFFAOYSA-N
XLogP3.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide (CID 141021579) is 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide is CCCc1nc(C(N)=O)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide?
The InChIKey is APEMAYGHMNQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-3-16-21-15(17(22-16)18(20)23)4-5-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.61, 6 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-propyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).