1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone

C13H10N2O2S — CID 143935646

IUPAC1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
SMILESCC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O2S/c1-7(16)8-4-5-9(17)12-11(8)14-13(15-12)10-3-2-6-18-10/h2-6,17H,1H3,(H,14,15)
InChIKeyGUPLEKGNMCMVES-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.20
Rot. Bonds2

About 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone

1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone (PubChem CID 143935646) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
PubChem CID143935646
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
SMILESCC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O2S/c1-7(16)8-4-5-9(17)12-11(8)14-13(15-12)10-3-2-6-18-10/h2-6,17H,1H3,(H,14,15)
InChIKeyGUPLEKGNMCMVES-UHFFFAOYSA-N
XLogP3.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
CID 58381422
2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
CID 143935625
(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone
CID 46191004
7-hydroxy-N-[2-(4-methylanilino)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 67084259
7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 46191079
4-[3-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-3-oxopropyl]benzenesulfonamide
CID 58381383
7-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628621
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628153
methyl 3-[2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]-1H-indol-3-yl]propanoate
CID 67360628
7-hydroxy-N-[2-(4-nitrophenoxy)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628156
7-hydroxy-2-thiophen-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1H-benzimidazole-4-carboxamide
CID 44628456
4-(dimethylamino)-1-(7-methoxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)butan-1-one
CID 58381365

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone (CID 143935646) is 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone is CC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone?
The InChIKey is GUPLEKGNMCMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7(16)8-4-5-9(17)12-11(8)14-13(15-12)10-3-2-6-18-10/h2-6,17H,1H3,(H,14,15).
What are the key properties of 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone?
1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone has a molecular weight of 258.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone is sourced from PubChem (CID 143935646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).