7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol

C13H12N2O — CID 3021562

IUPAC7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C13H12N2O/c16-13-4-2-10-1-3-12(7-11(10)8-13)15-6-5-14-9-15/h2,4-9,16H,1,3H2
InChIKeySDDDOAYMFJZBCK-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.53
Rot. Bonds1

About 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol

7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol (PubChem CID 3021562) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol
PubChem CID3021562
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C13H12N2O/c16-13-4-2-10-1-3-12(7-11(10)8-13)15-6-5-14-9-15/h2,4-9,16H,1,3H2
InChIKeySDDDOAYMFJZBCK-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol?
The IUPAC name of 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol (CID 3021562) is 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol.
What is the SMILES notation for 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol?
The canonical SMILES for 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol is Oc1ccc2c(c1)C=C(n1ccnc1)CC2.
What is the InChIKey of 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol?
The InChIKey is SDDDOAYMFJZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-4-2-10-1-3-12(7-11(10)8-13)15-6-5-14-9-15/h2,4-9,16H,1,3H2.
What are the key properties of 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol?
7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol has a molecular weight of 212.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol is sourced from PubChem (CID 3021562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).