1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

C12H9N3OS — CID 11425053

IUPAC1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESCC(=O)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C12H9N3OS/c1-8(16)15-11-5-3-2-4-9(11)14-12(15)10-6-17-7-13-10/h2-7H,1H3
InChIKeyHYGWPVKKNYPDPY-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.82
Rot. Bonds1

About 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (PubChem CID 11425053) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
PubChem CID11425053
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESCC(=O)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C12H9N3OS/c1-8(16)15-11-5-3-2-4-9(11)14-12(15)10-6-17-7-13-10/h2-7H,1H3
InChIKeyHYGWPVKKNYPDPY-UHFFFAOYSA-N
XLogP2.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(1,3-thiazol-4-yl)benzimidazole-1-carbonyl]oxyhexanoic acid
CID 21441727
4-[2-(1,3-thiazol-4-yl)benzimidazole-1-carbonyl]oxyoctanoic acid
CID 54373565
4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole
CID 162665845
(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 84554105
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
(2S)-1,1,1-trifluoro-2-methyl-3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-ol
CID 124734038
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
1-[2-(2-chlorocyclohepta[b]pyrrol-3-yl)benzimidazol-1-yl]ethanone
CID 14639456
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769405

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (CID 11425053) is 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is CC(=O)n1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The InChIKey is HYGWPVKKNYPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8(16)15-11-5-3-2-4-9(11)14-12(15)10-6-17-7-13-10/h2-7H,1H3.
What are the key properties of 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone has a molecular weight of 243.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 11425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).