2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol

C22H16N2O2 — CID 135908529

IUPAC2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol
SMILESCC1(c2ccccc2)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1
InChIInChI=1S/C22H16N2O2/c1-22(13-7-3-2-4-8-13)23-17-12-11-16-18(19(17)24-22)21(26)15-10-6-5-9-14(15)20(16)25/h2-12,25-26H,1H3
InChIKeyPYOWYPPKLBIZJK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.53
Rot. Bonds1

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

2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol (PubChem CID 135908529) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol.

Molecular Properties

Compound Name2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol
PubChem CID135908529
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol
SMILESCC1(c2ccccc2)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1
InChIInChI=1S/C22H16N2O2/c1-22(13-7-3-2-4-8-13)23-17-12-11-16-18(19(17)24-22)21(26)15-10-6-5-9-14(15)20(16)25/h2-12,25-26H,1H3
InChIKeyPYOWYPPKLBIZJK-UHFFFAOYSA-N
XLogP3.53
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.53
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-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol?
The IUPAC name of 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol (CID 135908529) is 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol.
What is the SMILES notation for 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol?
The canonical SMILES for 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol is CC1(c2ccccc2)N=c2ccc3c(O)c4ccccc4c(O)c3c2=N1.
What is the InChIKey of 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol?
The InChIKey is PYOWYPPKLBIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-22(13-7-3-2-4-8-13)23-17-12-11-16-18(19(17)24-22)21(26)15-10-6-5-9-14(15)20(16)25/h2-12,25-26H,1H3.
What are the key properties of 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol?
2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol has a molecular weight of 340.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylnaphtho[3,2-e]benzimidazole-6,11-diol is sourced from PubChem (CID 135908529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).