7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one

C9H10N2O2 — CID 73011384

IUPAC7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one
SMILESCC1=NC2=C(O)C=CC(=O)C2N1C
InChIInChI=1S/C9H10N2O2/c1-5-10-8-6(12)3-4-7(13)9(8)11(5)2/h3-4,9,12H,1-2H3
InChIKeyFMSMATIKFXSIMH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.63
Rot. Bonds

About 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one

7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one (PubChem CID 73011384) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one.

Molecular Properties

Compound Name7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one
PubChem CID73011384
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one
SMILESCC1=NC2=C(O)C=CC(=O)C2N1C
InChIInChI=1S/C9H10N2O2/c1-5-10-8-6(12)3-4-7(13)9(8)11(5)2/h3-4,9,12H,1-2H3
InChIKeyFMSMATIKFXSIMH-UHFFFAOYSA-N
XLogP0.63
TPSA52.90 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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one?
The IUPAC name of 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one (CID 73011384) is 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one.
What is the SMILES notation for 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one?
The canonical SMILES for 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one is CC1=NC2=C(O)C=CC(=O)C2N1C.
What is the InChIKey of 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one?
The InChIKey is FMSMATIKFXSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-10-8-6(12)3-4-7(13)9(8)11(5)2/h3-4,9,12H,1-2H3.
What are the key properties of 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one?
7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one is sourced from PubChem (CID 73011384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).