5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C13H14N2O — CID 10775000

IUPAC5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
InChIKeyURKMLGAUGBZDSY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.58
Rot. Bonds1

About 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 10775000) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID10775000
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
InChIKeyURKMLGAUGBZDSY-UHFFFAOYSA-N
XLogP2.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 10775000) is 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCCC2c1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is URKMLGAUGBZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15).
What are the key properties of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10775000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).