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

C16H23F2N3S — CID 22130397

IUPAC5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine
SMILESCCn1c(C)nc(C(C)C)c1Sc1cc(F)cc(F)c1.CN
InChIInChI=1S/C15H18F2N2S.CH5N/c1-5-19-10(4)18-14(9(2)3)15(19)20-13-7-11(16)6-12(17)8-13;1-2/h6-9H,5H2,1-4H3;2H2,1H3
InChIKeyUUSDHGINBUURNU-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.34
Rot. Bonds4

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

5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine (PubChem CID 22130397) has the molecular formula C16H23F2N3S and a molecular weight of 327.44 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine
PubChem CID22130397
Molecular FormulaC16H23F2N3S
Molecular Weight327.44 g/mol
Exact Mass327.16
IUPAC Name5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine
SMILESCCn1c(C)nc(C(C)C)c1Sc1cc(F)cc(F)c1.CN
InChIInChI=1S/C15H18F2N2S.CH5N/c1-5-19-10(4)18-14(9(2)3)15(19)20-13-7-11(16)6-12(17)8-13;1-2/h6-9H,5H2,1-4H3;2H2,1H3
InChIKeyUUSDHGINBUURNU-UHFFFAOYSA-N
XLogP4.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine?
The IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine (CID 22130397) is 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine is CCn1c(C)nc(C(C)C)c1Sc1cc(F)cc(F)c1.CN.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine?
The InChIKey is UUSDHGINBUURNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S.CH5N/c1-5-19-10(4)18-14(9(2)3)15(19)20-13-7-11(16)6-12(17)8-13;1-2/h6-9H,5H2,1-4H3;2H2,1H3.
What are the key properties of 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine?
5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine has a molecular weight of 327.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfanyl-1-ethyl-2-methyl-4-propan-2-ylimidazole;methanamine is sourced from PubChem (CID 22130397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).