furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C16H16N2O2S — CID 5061509

IUPACfuran-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C16H16N2O2S/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyPPFRZBAPTOIPKP-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.33
Rot. Bonds3

About furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 5061509) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID5061509
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Namefuran-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C16H16N2O2S/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyPPFRZBAPTOIPKP-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

(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3-methylphenyl)ethanone
CID 3412003
(3,4-dimethoxyphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5075756
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 4123698
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
CID 3393404
(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
CID 4283251
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161616
1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 3314468
(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4172307

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 5061509) is furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1.
What is the InChIKey of furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is PPFRZBAPTOIPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
furan-2-yl-[2-[(3-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-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 5061509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).