[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol

C12H19N3O — CID 112681723

IUPAC[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol
SMILESCN1C2CCC1CC(c1ncc(CO)[nH]1)C2
InChIInChI=1S/C12H19N3O/c1-15-10-2-3-11(15)5-8(4-10)12-13-6-9(7-16)14-12/h6,8,10-11,16H,2-5,7H2,1H3,(H,13,14)
InChIKeyHTKKVHVUSDPHIR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds2

About [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol

[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol (PubChem CID 112681723) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol
PubChem CID112681723
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol
SMILESCN1C2CCC1CC(c1ncc(CO)[nH]1)C2
InChIInChI=1S/C12H19N3O/c1-15-10-2-3-11(15)5-8(4-10)12-13-6-9(7-16)14-12/h6,8,10-11,16H,2-5,7H2,1H3,(H,13,14)
InChIKeyHTKKVHVUSDPHIR-UHFFFAOYSA-N
XLogP1.24
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol (CID 112681723) is [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol is CN1C2CCC1CC(c1ncc(CO)[nH]1)C2.
What is the InChIKey of [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is HTKKVHVUSDPHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-10-2-3-11(15)5-8(4-10)12-13-6-9(7-16)14-12/h6,8,10-11,16H,2-5,7H2,1H3,(H,13,14).
What are the key properties of [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol?
[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 112681723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).