4-hydroxy-1,3-dihydrobenzimidazol-2-one

C7H6N2O2 — CID 12926629

IUPAC4-hydroxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2[nH]1
InChIInChI=1S/C7H6N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11)
InChIKeyCPBGGIHYAYWNDD-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.56
Rot. Bonds

About 4-hydroxy-1,3-dihydrobenzimidazol-2-one

4-hydroxy-1,3-dihydrobenzimidazol-2-one (PubChem CID 12926629) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-hydroxy-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3-dihydrobenzimidazol-2-one
PubChem CID12926629
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name4-hydroxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2[nH]1
InChIInChI=1S/C7H6N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11)
InChIKeyCPBGGIHYAYWNDD-UHFFFAOYSA-N
XLogP0.56
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-hydroxy-1,3-dihydrobenzimidazol-2-one (CID 12926629) is 4-hydroxy-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-hydroxy-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(O)c2[nH]1.
What is the InChIKey of 4-hydroxy-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CPBGGIHYAYWNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11).
What are the key properties of 4-hydroxy-1,3-dihydrobenzimidazol-2-one?
4-hydroxy-1,3-dihydrobenzimidazol-2-one has a molecular weight of 150.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 12926629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).