3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C13H17ClN2O — CID 135546480

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1C1=NCCN1)CCCC2
InChIInChI=1S/C13H16N2O.ClH/c16-12-8-10-4-2-1-3-9(10)7-11(12)13-14-5-6-15-13;/h7-8,16H,1-6H2,(H,14,15);1H
InChIKeyHONQURBYJQWJBY-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.04
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 135546480) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID135546480
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1C1=NCCN1)CCCC2
InChIInChI=1S/C13H16N2O.ClH/c16-12-8-10-4-2-1-3-9(10)7-11(12)13-14-5-6-15-13;/h7-8,16H,1-6H2,(H,14,15);1H
InChIKeyHONQURBYJQWJBY-UHFFFAOYSA-N
XLogP2.04
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 135546480) is 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is Cl.Oc1cc2c(cc1C1=NCCN1)CCCC2.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is HONQURBYJQWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c16-12-8-10-4-2-1-3-9(10)7-11(12)13-14-5-6-15-13;/h7-8,16H,1-6H2,(H,14,15);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 135546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).