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

C19H21FN4OS — CID 24906150

IUPAC2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H21FN4OS/c1-3-15(11-25)22-16-10-13(8-9-21-16)18-17(23-19(24-18)26-2)12-4-6-14(20)7-5-12/h4-10,15,25H,3,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyMVGCHYPFKGXJLN-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds7

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

2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol (PubChem CID 24906150) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol
PubChem CID24906150
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H21FN4OS/c1-3-15(11-25)22-16-10-13(8-9-21-16)18-17(23-19(24-18)26-2)12-4-6-14(20)7-5-12/h4-10,15,25H,3,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyMVGCHYPFKGXJLN-UHFFFAOYSA-N
XLogP4.18
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
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]butan-1-ol?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol (CID 24906150) is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol is CCC(CO)Nc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol?
The InChIKey is MVGCHYPFKGXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-3-15(11-25)22-16-10-13(8-9-21-16)18-17(23-19(24-18)26-2)12-4-6-14(20)7-5-12/h4-10,15,25H,3,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol?
2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]butan-1-ol has a molecular weight of 372.47 g/mol, XLogP of 4.18, 7 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]butan-1-ol is sourced from PubChem (CID 24906150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).