3-methylbenzimidazol-4-ol

C8H8N2O — CID 3771453

IUPAC3-methylbenzimidazol-4-ol
SMILESCn1cnc2cccc(O)c21
InChIInChI=1S/C8H8N2O/c1-10-5-9-6-3-2-4-7(11)8(6)10/h2-5,11H,1H3
InChIKeyXZPJPYXKVODVDL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.28
Rot. Bonds

About 3-methylbenzimidazol-4-ol

3-methylbenzimidazol-4-ol (PubChem CID 3771453) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-methylbenzimidazol-4-ol.

Molecular Properties

Compound Name3-methylbenzimidazol-4-ol
PubChem CID3771453
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-methylbenzimidazol-4-ol
SMILESCn1cnc2cccc(O)c21
InChIInChI=1S/C8H8N2O/c1-10-5-9-6-3-2-4-7(11)8(6)10/h2-5,11H,1H3
InChIKeyXZPJPYXKVODVDL-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbenzimidazol-4-ol?
The IUPAC name of 3-methylbenzimidazol-4-ol (CID 3771453) is 3-methylbenzimidazol-4-ol.
What is the SMILES notation for 3-methylbenzimidazol-4-ol?
The canonical SMILES for 3-methylbenzimidazol-4-ol is Cn1cnc2cccc(O)c21.
What is the InChIKey of 3-methylbenzimidazol-4-ol?
The InChIKey is XZPJPYXKVODVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-5-9-6-3-2-4-7(11)8(6)10/h2-5,11H,1H3.
What are the key properties of 3-methylbenzimidazol-4-ol?
3-methylbenzimidazol-4-ol has a molecular weight of 148.16 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzimidazol-4-ol is sourced from PubChem (CID 3771453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).