1H-naphtho[1,2-d]imidazol-7-ol

• ChemBase ID: 107114
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: Oc1cc2ccc3nc[nH]c3c2cc1
• Canonical SMILES: Oc1ccc2c(c1)ccc1c2[nH]cn1
• InChI: InChI=1S/C11H8N2O/c14-8-2-3-9-7(5-8)1-4-10-11(9)13-6-12-10/h1-6,14H,(H,12,13)
• InChIKey: JXLYPMVAAWZRRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-naphtho[1,2-d]imidazol-7-ol
• IUPAC Traditional name: 1H-naphtho[1,2-d]imidazol-7-ol
• Synonyms: 7-HYDROXY-1,2-NAPHTHIMIDAZOLE

Database IDs

• PubChem SID: 162105985
• PubChem CID: 247486

CALCULATED PROPERTIES

• Acid pKa: 9.598647
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4878979
• LogD (pH = 7.4): 1.9295449
• Log P: 1.9454154
• Molar Refractivity: 53.399597 cm^3
• Polarizability: 22.851381 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202616

MP Biomedicals Rare Chemical collection