6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one

C13H12N2O2 — CID 13135501

IUPAC6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1n1ccnc1
InChIInChI=1S/C13H12N2O2/c16-10-2-3-11-9(7-10)1-4-12(13(11)17)15-6-5-14-8-15/h2-3,5-8,12,16H,1,4H2
InChIKeySWEXNIRKLPJHRG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.96
Rot. Bonds1

About 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13135501) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13135501
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1n1ccnc1
InChIInChI=1S/C13H12N2O2/c16-10-2-3-11-9(7-10)1-4-12(13(11)17)15-6-5-14-8-15/h2-3,5-8,12,16H,1,4H2
InChIKeySWEXNIRKLPJHRG-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 25067483
CID 25067483
CID 25067484
CID 25067484
CID 52780
CID 52780
CID 16114198
CID 16114198
CID 20475950
CID 20475950
CID 3021562
CID 3021562
CID 3021563
CID 3021563
CID 23724198
CID 23724198
CID 25067478
CID 25067478
CID 25067491
CID 25067491
CID 25067492
CID 25067492
CID 25067498
CID 25067498

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one (CID 13135501) is 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(O)cc2CCC1n1ccnc1.
What is the InChIKey of 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SWEXNIRKLPJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-10-2-3-11-9(7-10)1-4-12(13(11)17)15-6-5-14-8-15/h2-3,5-8,12,16H,1,4H2.
What are the key properties of 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 228.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13135501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).