(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

C16H14FN3OS — CID 4163752

IUPAC(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C16H14FN3OS/c17-14-5-1-4-13(9-14)15(21)20-8-7-19-16(20)22-11-12-3-2-6-18-10-12/h1-6,9-10H,7-8,11H2
InChIKeyNGFRUHYVSLRBAE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.97
Rot. Bonds3

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

(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4163752) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4163752
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C16H14FN3OS/c17-14-5-1-4-13(9-14)15(21)20-8-7-19-16(20)22-11-12-3-2-6-18-10-12/h1-6,9-10H,7-8,11H2
InChIKeyNGFRUHYVSLRBAE-UHFFFAOYSA-N
XLogP2.97
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 4163752) is (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1.
What is the InChIKey of (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is NGFRUHYVSLRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-14-5-1-4-13(9-14)15(21)20-8-7-19-16(20)22-11-12-3-2-6-18-10-12/h1-6,9-10H,7-8,11H2.
What are the key properties of (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4163752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).