4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one

C8H8N2O2S — CID 54078023

IUPAC4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cccs2)[nH]1
InChIInChI=1S/C8H8N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,11H,4H2,(H2,9,10,12)
InChIKeyMLBQHBWNBYTWLD-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.06
Rot. Bonds2

About 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one

4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one (PubChem CID 54078023) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one
PubChem CID54078023
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cccs2)[nH]1
InChIInChI=1S/C8H8N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,11H,4H2,(H2,9,10,12)
InChIKeyMLBQHBWNBYTWLD-UHFFFAOYSA-N
XLogP1.06
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(thiophen-2-ylmethyl)-1H-pyrimidin-2-one
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5-ethyl-2-sulfanylidene-6-(thiophen-2-ylmethyl)-1H-pyrimidin-4-one
CID 15866932
4-(thiophen-2-ylmethyl)phenol
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2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
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6-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethyl)-1H-pyrimidin-4-one
CID 83951532
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 135546497
3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
CID 14027438
2-methyl-5-(thiophen-2-ylmethyl)thiophene
CID 15537513
4-hydroxy-5-(3-methylphenyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 79422081
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 139069667
5-(3-chlorophenyl)-4-hydroxy-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 79429745

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one (CID 54078023) is 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(Cc2cccs2)[nH]1.
What is the InChIKey of 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is MLBQHBWNBYTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,11H,4H2,(H2,9,10,12).
What are the key properties of 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one?
4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 196.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(thiophen-2-ylmethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54078023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).