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

C15H21ClN2O — CID 25132859

IUPAC1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride
SMILESCl.O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O.ClH/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;1H
InChIKeyBOCVFOQNPUSEIG-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.09
Rot. Bonds3

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

1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride (PubChem CID 25132859) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride
PubChem CID25132859
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride
SMILESCl.O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O.ClH/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;1H
InChIKeyBOCVFOQNPUSEIG-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride 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 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride (CID 25132859) is 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride is Cl.O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride?
The InChIKey is BOCVFOQNPUSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/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;1H.
What are the key properties of 1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride?
1-(1-adamantyl)-2-imidazol-1-ylethanone;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.09, 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;hydrochloride is sourced from PubChem (CID 25132859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).