2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol

C14H12N2O2 — CID 136927555

IUPAC2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol
SMILESCc1cccc2[nH]c(-c3cc(O)ccc3O)nc12
InChIInChI=1S/C14H12N2O2/c1-8-3-2-4-11-13(8)16-14(15-11)10-7-9(17)5-6-12(10)18/h2-7,17-18H,1H3,(H,15,16)
InChIKeyUZTHIFZTRVCNBN-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.95
Rot. Bonds1

About 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol

2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136927555) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol
PubChem CID136927555
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol
SMILESCc1cccc2[nH]c(-c3cc(O)ccc3O)nc12
InChIInChI=1S/C14H12N2O2/c1-8-3-2-4-11-13(8)16-14(15-11)10-7-9(17)5-6-12(10)18/h2-7,17-18H,1H3,(H,15,16)
InChIKeyUZTHIFZTRVCNBN-UHFFFAOYSA-N
XLogP2.95
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol (CID 136927555) is 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol is Cc1cccc2[nH]c(-c3cc(O)ccc3O)nc12.
What is the InChIKey of 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is UZTHIFZTRVCNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-3-2-4-11-13(8)16-14(15-11)10-7-9(17)5-6-12(10)18/h2-7,17-18H,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol?
2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol has a molecular weight of 240.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-benzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136927555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).