2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol

C23H20F2N4OS — CID 58497237

IUPAC2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cc1F
InChIInChI=1S/C23H20F2N4OS/c1-23(2,30)19-10-7-14(13-27-19)20-22(31-18-9-8-15(24)12-16(18)25)29(3)21(28-20)17-6-4-5-11-26-17/h4-13,30H,1-3H3
InChIKeyZJWNWTOIGDQPRG-UHFFFAOYSA-N
MW438.50 g/mol
LogP5.20
Rot. Bonds5

About 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol

2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 58497237) has the molecular formula C23H20F2N4OS and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID58497237
Molecular FormulaC23H20F2N4OS
Molecular Weight438.50 g/mol
Exact Mass438.13
IUPAC Name2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cc1F
InChIInChI=1S/C23H20F2N4OS/c1-23(2,30)19-10-7-14(13-27-19)20-22(31-18-9-8-15(24)12-16(18)25)29(3)21(28-20)17-6-4-5-11-26-17/h4-13,30H,1-3H3
InChIKeyZJWNWTOIGDQPRG-UHFFFAOYSA-N
XLogP5.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol (CID 58497237) is 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol is Cn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cc1F.
What is the InChIKey of 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is ZJWNWTOIGDQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4OS/c1-23(2,30)19-10-7-14(13-27-19)20-22(31-18-9-8-15(24)12-16(18)25)29(3)21(28-20)17-6-4-5-11-26-17/h4-13,30H,1-3H3.
What are the key properties of 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 438.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2,4-difluorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58497237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).