2-methylbenzimidazole-2,4-diol

C8H8N2O2 — CID 135829567

IUPAC2-methylbenzimidazole-2,4-diol
SMILESCC1(O)N=c2cccc(O)c2=N1
InChIInChI=1S/C8H8N2O2/c1-8(12)9-5-3-2-4-6(11)7(5)10-8/h2-4,11-12H,1H3
InChIKeyMIJQRMMASMRJNR-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.69
Rot. Bonds

About 2-methylbenzimidazole-2,4-diol

2-methylbenzimidazole-2,4-diol (PubChem CID 135829567) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-methylbenzimidazole-2,4-diol.

Molecular Properties

Compound Name2-methylbenzimidazole-2,4-diol
PubChem CID135829567
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-methylbenzimidazole-2,4-diol
SMILESCC1(O)N=c2cccc(O)c2=N1
InChIInChI=1S/C8H8N2O2/c1-8(12)9-5-3-2-4-6(11)7(5)10-8/h2-4,11-12H,1H3
InChIKeyMIJQRMMASMRJNR-UHFFFAOYSA-N
XLogP-0.69
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzimidazole-2,4-diol?
The IUPAC name of 2-methylbenzimidazole-2,4-diol (CID 135829567) is 2-methylbenzimidazole-2,4-diol.
What is the SMILES notation for 2-methylbenzimidazole-2,4-diol?
The canonical SMILES for 2-methylbenzimidazole-2,4-diol is CC1(O)N=c2cccc(O)c2=N1.
What is the InChIKey of 2-methylbenzimidazole-2,4-diol?
The InChIKey is MIJQRMMASMRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-8(12)9-5-3-2-4-6(11)7(5)10-8/h2-4,11-12H,1H3.
What are the key properties of 2-methylbenzimidazole-2,4-diol?
2-methylbenzimidazole-2,4-diol has a molecular weight of 164.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzimidazole-2,4-diol is sourced from PubChem (CID 135829567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).