5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one

C13H12N2O2S — CID 82174352

IUPAC5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3cccs3)cc2[nH]1
InChIInChI=1S/C13H12N2O2S/c16-12(7-9-2-1-5-18-9)8-3-4-10-11(6-8)15-13(17)14-10/h1-6,12,16H,7H2,(H2,14,15,17)
InChIKeyYKJJEFXIQFSYJT-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.19
Rot. Bonds3

About 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one

5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174352) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82174352
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3cccs3)cc2[nH]1
InChIInChI=1S/C13H12N2O2S/c16-12(7-9-2-1-5-18-9)8-3-4-10-11(6-8)15-13(17)14-10/h1-6,12,16H,7H2,(H2,14,15,17)
InChIKeyYKJJEFXIQFSYJT-UHFFFAOYSA-N
XLogP2.19
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one (CID 82174352) is 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)Cc3cccs3)cc2[nH]1.
What is the InChIKey of 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YKJJEFXIQFSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12(7-9-2-1-5-18-9)8-3-4-10-11(6-8)15-13(17)14-10/h1-6,12,16H,7H2,(H2,14,15,17).
What are the key properties of 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).