2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol

C17H14N2O2 — CID 135433817

IUPAC2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol
SMILESCC1(C)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1
InChIInChI=1S/C17H14N2O2/c1-17(2)18-12-8-7-11-13(14(12)19-17)16(21)10-6-4-3-5-9(10)15(11)20/h3-8,20-21H,1-2H3
InChIKeyHQLMOIOGHONOJD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.39
Rot. Bonds

About 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol

2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol (PubChem CID 135433817) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol.

Molecular Properties

Compound Name2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol
PubChem CID135433817
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol
SMILESCC1(C)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1
InChIInChI=1S/C17H14N2O2/c1-17(2)18-12-8-7-11-13(14(12)19-17)16(21)10-6-4-3-5-9(10)15(11)20/h3-8,20-21H,1-2H3
InChIKeyHQLMOIOGHONOJD-UHFFFAOYSA-N
XLogP2.39
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol?
The IUPAC name of 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol (CID 135433817) is 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol.
What is the SMILES notation for 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol?
The canonical SMILES for 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol is CC1(C)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1.
What is the InChIKey of 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol?
The InChIKey is HQLMOIOGHONOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-17(2)18-12-8-7-11-13(14(12)19-17)16(21)10-6-4-3-5-9(10)15(11)20/h3-8,20-21H,1-2H3.
What are the key properties of 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol?
2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol has a molecular weight of 278.31 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylnaphtho[3,2-e]benzimidazole-6,11-diol is sourced from PubChem (CID 135433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).