2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol

C18H19FN4OS — CID 24905862

IUPAC2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCSc1nc(-c2ccnc(NC(C)CO)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C18H19FN4OS/c1-11(10-24)21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQZPGMBTVZASOSS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.79
Rot. Bonds6

About 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol

2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 24905862) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID24905862
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCSc1nc(-c2ccnc(NC(C)CO)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C18H19FN4OS/c1-11(10-24)21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQZPGMBTVZASOSS-UHFFFAOYSA-N
XLogP3.79
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol (CID 24905862) is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol is CSc1nc(-c2ccnc(NC(C)CO)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is QZPGMBTVZASOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-11(10-24)21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 358.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 24905862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).