6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

C13H14N2O — CID 83821442

IUPAC6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(-n3ccnc3)ccc21
InChIInChI=1S/C13H14N2O/c16-13-3-1-2-10-8-11(4-5-12(10)13)15-7-6-14-9-15/h4-9,13,16H,1-3H2
InChIKeySVTGSANOIZKENI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.24
Rot. Bonds1

About 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 83821442) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID83821442
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(-n3ccnc3)ccc21
InChIInChI=1S/C13H14N2O/c16-13-3-1-2-10-8-11(4-5-12(10)13)15-7-6-14-9-15/h4-9,13,16H,1-3H2
InChIKeySVTGSANOIZKENI-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709300
6-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83824131
6-(cyclopropylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83819616
2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208473
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83822185
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091266
2-bromo-5-imidazol-1-ylphenol
CID 84701020
1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole
CID 172759400
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 83821442) is 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2cc(-n3ccnc3)ccc21.
What is the InChIKey of 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is SVTGSANOIZKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-3-1-2-10-8-11(4-5-12(10)13)15-7-6-14-9-15/h4-9,13,16H,1-3H2.
What are the key properties of 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 83821442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).