[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol

C10H16N4O — CID 79974625

IUPAC[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C2CN3CCN2CC3)[nH]1
InChIInChI=1S/C10H16N4O/c15-7-8-5-11-10(12-8)9-6-13-1-3-14(9)4-2-13/h5,9,15H,1-4,6-7H2,(H,11,12)
InChIKeyPIZBYHUAJLZORZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.43
Rot. Bonds2

About [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol

[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol (PubChem CID 79974625) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol
PubChem CID79974625
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C2CN3CCN2CC3)[nH]1
InChIInChI=1S/C10H16N4O/c15-7-8-5-11-10(12-8)9-6-13-1-3-14(9)4-2-13/h5,9,15H,1-4,6-7H2,(H,11,12)
InChIKeyPIZBYHUAJLZORZ-UHFFFAOYSA-N
XLogP-0.43
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol 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

N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79973863
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 79969557
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidin-6-one
CID 79970436
[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol
CID 112681723
[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79974549
[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol
CID 163877060
(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
CID 20550067
1-[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 79974195
6-tert-butyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidine-4-thione
CID 106475954
6-cyclopentyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidine-4-thione
CID 106481945
2-(4-chloropyrimidin-2-yl)-1,4-diazabicyclo[2.2.2]octane
CID 79970443
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-1,4-diazabicyclo[2.2.2]octane
CID 79969290

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol (CID 79974625) is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol is OCc1cnc(C2CN3CCN2CC3)[nH]1.
What is the InChIKey of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is PIZBYHUAJLZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-7-8-5-11-10(12-8)9-6-13-1-3-14(9)4-2-13/h5,9,15H,1-4,6-7H2,(H,11,12).
What are the key properties of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol?
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 79974625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).