(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C15H12BrFN2O2S — CID 3572011

IUPAC(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2S/c16-13-5-4-12(21-13)14(20)19-7-6-18-15(19)22-9-10-2-1-3-11(17)8-10/h1-5,8H,6-7,9H2
InChIKeyFNQRLYYVOWZEGL-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.93
Rot. Bonds3

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

(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3572011) has the molecular formula C15H12BrFN2O2S and a molecular weight of 383.24 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3572011
Molecular FormulaC15H12BrFN2O2S
Molecular Weight383.24 g/mol
Exact Mass381.98
IUPAC Name(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2S/c16-13-5-4-12(21-13)14(20)19-7-6-18-15(19)22-9-10-2-1-3-11(17)8-10/h1-5,8H,6-7,9H2
InChIKeyFNQRLYYVOWZEGL-UHFFFAOYSA-N
XLogP3.93
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3572011) is (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is FNQRLYYVOWZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2S/c16-13-5-4-12(21-13)14(20)19-7-6-18-15(19)22-9-10-2-1-3-11(17)8-10/h1-5,8H,6-7,9H2.
What are the key properties of (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 383.24 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3572011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).