4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole

C13H14F2N2S — CID 19002950

IUPAC4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole
SMILESCc1nc(Sc2ccc(F)cc2F)c(C(C)C)[nH]1
InChIInChI=1S/C13H14F2N2S/c1-7(2)12-13(17-8(3)16-12)18-11-5-4-9(14)6-10(11)15/h4-7H,1-3H3,(H,16,17)
InChIKeyQPJCOGZJAGZJHL-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.27
Rot. Bonds3

About 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole

4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole (PubChem CID 19002950) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole
PubChem CID19002950
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole
SMILESCc1nc(Sc2ccc(F)cc2F)c(C(C)C)[nH]1
InChIInChI=1S/C13H14F2N2S/c1-7(2)12-13(17-8(3)16-12)18-11-5-4-9(14)6-10(11)15/h4-7H,1-3H3,(H,16,17)
InChIKeyQPJCOGZJAGZJHL-UHFFFAOYSA-N
XLogP4.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole (CID 19002950) is 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole is Cc1nc(Sc2ccc(F)cc2F)c(C(C)C)[nH]1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole?
The InChIKey is QPJCOGZJAGZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-7(2)12-13(17-8(3)16-12)18-11-5-4-9(14)6-10(11)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole?
4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole has a molecular weight of 268.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-2-methyl-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 19002950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).