furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C16H16N2O2S — CID 4687568

IUPACfuran-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N2O2S/c1-12-4-6-13(7-5-12)11-21-16-17-8-9-18(16)15(19)14-3-2-10-20-14/h2-7,10H,8-9,11H2,1H3
InChIKeyKXFYCYSJSPJFPG-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.33
Rot. Bonds3

About furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4687568) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4687568
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Namefuran-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N2O2S/c1-12-4-6-13(7-5-12)11-21-16-17-8-9-18(16)15(19)14-3-2-10-20-14/h2-7,10H,8-9,11H2,1H3
InChIKeyKXFYCYSJSPJFPG-UHFFFAOYSA-N
XLogP3.33
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 557424
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4883868
(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 6865395
N-(furan-2-ylmethyl)-N-(4-methylbenzyl)furan-2-carboxamide
CID 16436339
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086
N-[1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4877225
N-(3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838622
N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838627
N-(4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838630
furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 2552001
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
CID 3158865
(5-Bromo-2-furanyl)-[2-[(3-methylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
CID 3361119

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4687568) is furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is KXFYCYSJSPJFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12-4-6-13(7-5-12)11-21-16-17-8-9-18(16)15(19)14-3-2-10-20-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 300.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4687568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).