1-(1-adamantyl)-2-imidazol-1-ylethanone

C15H20N2O — CID 20541332

IUPAC1-(1-adamantyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
InChIKeyBBCQJSMDKDHVKG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds3

About 1-(1-adamantyl)-2-imidazol-1-ylethanone

1-(1-adamantyl)-2-imidazol-1-ylethanone (PubChem CID 20541332) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-imidazol-1-ylethanone
PubChem CID20541332
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-adamantyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
InChIKeyBBCQJSMDKDHVKG-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-imidazol-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-Adamantylmethyl)imidazole
CID 10584844
1-(1-Adamantyl)-2-imidazol-1-ylethanone;hydrochloride
CID 25132859
N-methyl-N-[(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 71458595
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
2-(1-Adamantanyl)-1-[4-(1-ethyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284958
2-(adamantan-1-yl)-1-[4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl]ethan-1-one hydrochloride
CID 45284178
2-((3r,5r,7r)-adamantan-1-yl)-1-(4-(1-ethyl-1H-imidazol-2-yl)piperazin-1-yl)ethanone hydrochloride
CID 45284247
(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
1-Cyclohexyl-2-[3-(2-cyclohexyl-2-oxo-ethyl)imidazol-3-ium-1-yl]ethanone
CID 86573428
1-(1-adamantyl)-2-(1H-imidazol-3-ium-3-yl)ethanone
CID 24916747
1-[(1S,2S)-2-(3-butylimidazol-3-ium-1-yl)cyclohexyl]ethanone
CID 123826226
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyladamantane-1-carboxamide
CID 36366563

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(1-adamantyl)-2-imidazol-1-ylethanone (CID 20541332) is 1-(1-adamantyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(1-adamantyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-imidazol-1-ylethanone?
The InChIKey is BBCQJSMDKDHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2.
What are the key properties of 1-(1-adamantyl)-2-imidazol-1-ylethanone?
1-(1-adamantyl)-2-imidazol-1-ylethanone has a molecular weight of 244.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 20541332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).