3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol

C18H19FN4OS — CID 24906151

IUPAC3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCSc1nc(-c2ccnc(NCCCO)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C18H19FN4OS/c1-25-18-22-16(12-3-5-14(19)6-4-12)17(23-18)13-7-9-21-15(11-13)20-8-2-10-24/h3-7,9,11,24H,2,8,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyVDARZOYUPHNIMA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.79
Rot. Bonds7

About 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol

3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 24906151) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID24906151
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCSc1nc(-c2ccnc(NCCCO)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C18H19FN4OS/c1-25-18-22-16(12-3-5-14(19)6-4-12)17(23-18)13-7-9-21-15(11-13)20-8-2-10-24/h3-7,9,11,24H,2,8,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyVDARZOYUPHNIMA-UHFFFAOYSA-N
XLogP3.79
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Arpromidine
CID 65895
3-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)propan-1-ol
CID 132496692
Cbs-3595
CID 11639342
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
ML-3403
CID 6419739
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole
CID 667570
2-{4-[4-(4-Fluoro-phenyl)-3-(2-methoxy-ethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin-2-ylamino}-propan-1-ol
CID 24905909
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)-N-(tetrahydro-2H-pyran-4-yl)pyridin-2-amine
CID 44593521
4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 134693850
2-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)ethanol
CID 137636621

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol (CID 24906151) is 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol is CSc1nc(-c2ccnc(NCCCO)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is VDARZOYUPHNIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-25-18-22-16(12-3-5-14(19)6-4-12)17(23-18)13-7-9-21-15(11-13)20-8-2-10-24/h3-7,9,11,24H,2,8,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
3-[[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, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 24906151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).