2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

C13H15FN2OS — CID 106953197

IUPAC2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CSc2cccc(F)c2)NC1=O
InChIInChI=1S/C13H15FN2OS/c1-8(2)12-13(17)16-11(15-12)7-18-10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16,17)
InChIKeyYHVIDCGVTYZKLO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds4

About 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953197) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953197
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CSc2cccc(F)c2)NC1=O
InChIInChI=1S/C13H15FN2OS/c1-8(2)12-13(17)16-11(15-12)7-18-10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16,17)
InChIKeyYHVIDCGVTYZKLO-UHFFFAOYSA-N
XLogP2.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953197) is 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(CSc2cccc(F)c2)NC1=O.
What is the InChIKey of 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is YHVIDCGVTYZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8(2)12-13(17)16-11(15-12)7-18-10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).