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

C15H13FN2O2S — CID 4088356

IUPAC[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyQNHXUNARPQACGB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.16
Rot. Bonds3

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

[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (PubChem CID 4088356) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
PubChem CID4088356
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyQNHXUNARPQACGB-UHFFFAOYSA-N
XLogP3.16
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (CID 4088356) is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN=C1SCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is QNHXUNARPQACGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2.
What are the key properties of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4088356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).