5-acetyl-1,3-dihydrobenzimidazol-2-one

C9H8N2O2 — CID 13288769

IUPAC5-acetyl-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O2/c1-5(12)6-2-3-7-8(4-6)11-9(13)10-7/h2-4H,1H3,(H2,10,11,13)
InChIKeyWHQVLSZDGFJRJL-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.06
Rot. Bonds1

About 5-acetyl-1,3-dihydrobenzimidazol-2-one

5-acetyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 13288769) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-acetyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-acetyl-1,3-dihydrobenzimidazol-2-one
PubChem CID13288769
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-acetyl-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O2/c1-5(12)6-2-3-7-8(4-6)11-9(13)10-7/h2-4H,1H3,(H2,10,11,13)
InChIKeyWHQVLSZDGFJRJL-UHFFFAOYSA-N
XLogP1.06
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-acetyl-1,3-dihydrobenzimidazol-2-one (CID 13288769) is 5-acetyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-acetyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-acetyl-1,3-dihydrobenzimidazol-2-one is CC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-acetyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WHQVLSZDGFJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5(12)6-2-3-7-8(4-6)11-9(13)10-7/h2-4H,1H3,(H2,10,11,13).
What are the key properties of 5-acetyl-1,3-dihydrobenzimidazol-2-one?
5-acetyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 13288769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).