1-(2-iodobenzimidazol-1-yl)ethanone

C9H7IN2O — CID 130056290

IUPAC1-(2-iodobenzimidazol-1-yl)ethanone
SMILESCC(=O)n1c(I)nc2ccccc21
InChIInChI=1S/C9H7IN2O/c1-6(13)12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,1H3
InChIKeyCXMLREFHVRIPLS-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.30
Rot. Bonds

About 1-(2-iodobenzimidazol-1-yl)ethanone

1-(2-iodobenzimidazol-1-yl)ethanone (PubChem CID 130056290) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 1-(2-iodobenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-iodobenzimidazol-1-yl)ethanone
PubChem CID130056290
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name1-(2-iodobenzimidazol-1-yl)ethanone
SMILESCC(=O)n1c(I)nc2ccccc21
InChIInChI=1S/C9H7IN2O/c1-6(13)12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,1H3
InChIKeyCXMLREFHVRIPLS-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
2-iodo-1-methoxybenzimidazole
CID 3843081
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 11425053
1-(2-tritylsulfanylbenzimidazol-1-yl)ethanone
CID 59181249
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
1-[2-(2-chlorocyclohepta[b]pyrrol-3-yl)benzimidazol-1-yl]ethanone
CID 14639456
1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
CID 19256617
2-methylsulfanylbenzimidazole-1-carboxamide
CID 67564137
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
1-carbazol-9-ylethanone;ethane
CID 142183368

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodobenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-iodobenzimidazol-1-yl)ethanone (CID 130056290) is 1-(2-iodobenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-iodobenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-iodobenzimidazol-1-yl)ethanone is CC(=O)n1c(I)nc2ccccc21.
What is the InChIKey of 1-(2-iodobenzimidazol-1-yl)ethanone?
The InChIKey is CXMLREFHVRIPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-6(13)12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,1H3.
What are the key properties of 1-(2-iodobenzimidazol-1-yl)ethanone?
1-(2-iodobenzimidazol-1-yl)ethanone has a molecular weight of 286.07 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodobenzimidazol-1-yl)ethanone is sourced from PubChem (CID 130056290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).