2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine

C20H24F2N4S — CID 22130875

IUPAC2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
SMILESCN.Cc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccccn1
InChIInChI=1S/C19H19F2N3S.CH5N/c1-12(2)18-19(25-17-9-14(20)8-15(21)10-17)24(13(3)23-18)11-16-6-4-5-7-22-16;1-2/h4-10,12H,11H2,1-3H3;2H2,1H3
InChIKeyGLANZNUBJPPQRY-UHFFFAOYSA-N
MW390.50 g/mol
LogP4.76
Rot. Bonds5

About 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine

2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine (PubChem CID 22130875) has the molecular formula C20H24F2N4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine.

Molecular Properties

Compound Name2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
PubChem CID22130875
Molecular FormulaC20H24F2N4S
Molecular Weight390.50 g/mol
Exact Mass390.17
IUPAC Name2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
SMILESCN.Cc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccccn1
InChIInChI=1S/C19H19F2N3S.CH5N/c1-12(2)18-19(25-17-9-14(20)8-15(21)10-17)24(13(3)23-18)11-16-6-4-5-7-22-16;1-2/h4-10,12H,11H2,1-3H3;2H2,1H3
InChIKeyGLANZNUBJPPQRY-UHFFFAOYSA-N
XLogP4.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-azidoethyl)-5-(3,5-difluorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine
CID 139729924
3-[5-(3,5-difluorophenyl)sulfanyl-1-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylimidazol-2-yl]propan-1-ol
CID 22130311
2-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl acetate
CID 22130544
2-[5-(2-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]oxyethyl carbamate
CID 151445880
[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanol
CID 10159167
1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]-N-methylmethanamine
CID 54158729
3-[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]propyl carbamate
CID 22130571
2-[1-[(4-aminophenyl)methyl]-5-(3,5-difluorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethanol
CID 22130658
2-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl acetate
CID 22130221
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 145212635
6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522273
6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522628

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The IUPAC name of 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine (CID 22130875) is 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine.
What is the SMILES notation for 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The canonical SMILES for 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine is CN.Cc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccccn1.
What is the InChIKey of 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The InChIKey is GLANZNUBJPPQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3S.CH5N/c1-12(2)18-19(25-17-9-14(20)8-15(21)10-17)24(13(3)23-18)11-16-6-4-5-7-22-16;1-2/h4-10,12H,11H2,1-3H3;2H2,1H3.
What are the key properties of 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine has a molecular weight of 390.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-difluorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine is sourced from PubChem (CID 22130875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).