5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one

C8H8N2O2 — CID 11819366

IUPAC5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1O
InChIInChI=1S/C8H8N2O2/c1-4-2-5-6(3-7(4)11)10-8(12)9-5/h2-3,11H,1H3,(H2,9,10,12)
InChIKeyLGANKRCXRCQIKL-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.87
Rot. Bonds

About 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one

5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 11819366) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID11819366
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1O
InChIInChI=1S/C8H8N2O2/c1-4-2-5-6(3-7(4)11)10-8(12)9-5/h2-3,11H,1H3,(H2,9,10,12)
InChIKeyLGANKRCXRCQIKL-UHFFFAOYSA-N
XLogP0.87
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 11819366) is 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1O.
What is the InChIKey of 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LGANKRCXRCQIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-4-2-5-6(3-7(4)11)10-8(12)9-5/h2-3,11H,1H3,(H2,9,10,12).
What are the key properties of 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one?
5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11819366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).