4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol

C11H17N3O — CID 105365830

IUPAC4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCn1ccnc1C1(O)CCN2CCC1C2
InChIInChI=1S/C11H17N3O/c1-13-7-4-12-10(13)11(15)3-6-14-5-2-9(11)8-14/h4,7,9,15H,2-3,5-6,8H2,1H3
InChIKeyHFEORVOIIMTAIH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.33
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365830) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365830
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCn1ccnc1C1(O)CCN2CCC1C2
InChIInChI=1S/C11H17N3O/c1-13-7-4-12-10(13)11(15)3-6-14-5-2-9(11)8-14/h4,7,9,15H,2-3,5-6,8H2,1H3
InChIKeyHFEORVOIIMTAIH-UHFFFAOYSA-N
XLogP0.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856101
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
CID 80562885
4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365733
trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 154850428
4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365969
1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 65049660
4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365838
4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365916
N-cyclohexyl-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
CID 46958733
6-(1-methylimidazol-2-yl)-1,4-dithiepan-6-ol
CID 125495336
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)azepan-1-yl]ethanone
CID 124952993

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365830) is 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol is Cn1ccnc1C1(O)CCN2CCC1C2.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is HFEORVOIIMTAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-7-4-12-10(13)11(15)3-6-14-5-2-9(11)8-14/h4,7,9,15H,2-3,5-6,8H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 207.28 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).