5-hydroxy-1,3-dimethylbenzimidazol-2-one

C9H10N2O2 — CID 82229746

IUPAC5-hydroxy-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(O)ccc21
InChIInChI=1S/C9H10N2O2/c1-10-7-4-3-6(12)5-8(7)11(2)9(10)13/h3-5,12H,1-2H3
InChIKeyCVSBMTLJYVHJID-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.58
Rot. Bonds

About 5-hydroxy-1,3-dimethylbenzimidazol-2-one

5-hydroxy-1,3-dimethylbenzimidazol-2-one (PubChem CID 82229746) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-hydroxy-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-1,3-dimethylbenzimidazol-2-one
PubChem CID82229746
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-hydroxy-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(O)ccc21
InChIInChI=1S/C9H10N2O2/c1-10-7-4-3-6(12)5-8(7)11(2)9(10)13/h3-5,12H,1-2H3
InChIKeyCVSBMTLJYVHJID-UHFFFAOYSA-N
XLogP0.58
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-hydroxy-1,3-dimethylbenzimidazol-2-one (CID 82229746) is 5-hydroxy-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-hydroxy-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-1,3-dimethylbenzimidazol-2-one?
The InChIKey is CVSBMTLJYVHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-10-7-4-3-6(12)5-8(7)11(2)9(10)13/h3-5,12H,1-2H3.
What are the key properties of 5-hydroxy-1,3-dimethylbenzimidazol-2-one?
5-hydroxy-1,3-dimethylbenzimidazol-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 82229746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).