3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one

C12H10N2O3S — CID 177410002

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1SC1=NCCN1
InChIInChI=1S/C12H10N2O3S/c15-9-7-3-1-2-4-8(7)17-11(16)10(9)18-12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14)
InChIKeyALMLSLMQGVOXDF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.55
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one (PubChem CID 177410002) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one
PubChem CID177410002
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1SC1=NCCN1
InChIInChI=1S/C12H10N2O3S/c15-9-7-3-1-2-4-8(7)17-11(16)10(9)18-12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14)
InChIKeyALMLSLMQGVOXDF-UHFFFAOYSA-N
XLogP1.55
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
3-ethylsulfanyl-4-hydroxychromen-2-one
CID 86081050
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid
CID 12934707
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-(2-phenoxyethylsulfanyl)chromen-2-one
CID 54686609
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one
CID 67204848
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-2-ylmethyl]chromen-2-one
CID 54682197
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
3-[(4-fluorophenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135437457

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one (CID 177410002) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one is O=c1oc2ccccc2c(O)c1SC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one?
The InChIKey is ALMLSLMQGVOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-9-7-3-1-2-4-8(7)17-11(16)10(9)18-12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one is sourced from PubChem (CID 177410002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).