1-methylbenzimidazol-5-ol

C8H8N2O — CID 840445

IUPAC1-methylbenzimidazol-5-ol
SMILESCn1cnc2cc(O)ccc21
InChIInChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3
InChIKeyNDDDURSMVVKBTL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.28
Rot. Bonds

About 1-methylbenzimidazol-5-ol

1-methylbenzimidazol-5-ol (PubChem CID 840445) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-methylbenzimidazol-5-ol.

Molecular Properties

Compound Name1-methylbenzimidazol-5-ol
PubChem CID840445
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1-methylbenzimidazol-5-ol
SMILESCn1cnc2cc(O)ccc21
InChIInChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3
InChIKeyNDDDURSMVVKBTL-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 1-methylbenzimidazol-5-ol?
The IUPAC name of 1-methylbenzimidazol-5-ol (CID 840445) is 1-methylbenzimidazol-5-ol.
What is the SMILES notation for 1-methylbenzimidazol-5-ol?
The canonical SMILES for 1-methylbenzimidazol-5-ol is Cn1cnc2cc(O)ccc21.
What is the InChIKey of 1-methylbenzimidazol-5-ol?
The InChIKey is NDDDURSMVVKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3.
What are the key properties of 1-methylbenzimidazol-5-ol?
1-methylbenzimidazol-5-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 1-methylbenzimidazol-5-ol is sourced from PubChem (CID 840445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).