5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole

C14H16F2N2S — CID 142663633

IUPAC5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole
SMILESCCn1cnc(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2S/c1-4-18-8-17-13(9(2)3)14(18)19-12-6-10(15)5-11(16)7-12/h5-9H,4H2,1-3H3
InChIKeyXZFOUSIBCHWSAY-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.46
Rot. Bonds4

About 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole

5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole (PubChem CID 142663633) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole
PubChem CID142663633
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole
SMILESCCn1cnc(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2S/c1-4-18-8-17-13(9(2)3)14(18)19-12-6-10(15)5-11(16)7-12/h5-9H,4H2,1-3H3
InChIKeyXZFOUSIBCHWSAY-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole?
The IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole (CID 142663633) is 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole is CCn1cnc(C(C)C)c1Sc1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole?
The InChIKey is XZFOUSIBCHWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-4-18-8-17-13(9(2)3)14(18)19-12-6-10(15)5-11(16)7-12/h5-9H,4H2,1-3H3.
What are the key properties of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole?
5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole has a molecular weight of 282.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 142663633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).