N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

C20H21FN4O2S — CID 11188782

IUPACN-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCO
InChIInChI=1S/C20H21FN4O2S/c1-13(27)23-17-12-15(8-9-22-17)19-18(14-4-6-16(21)7-5-14)24-20(28-2)25(19)10-3-11-26/h4-9,12,26H,3,10-11H2,1-2H3,(H,22,23,27)
InChIKeyRLQYLEQINVCBOQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.81
Rot. Bonds7

About N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 11188782) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID11188782
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCO
InChIInChI=1S/C20H21FN4O2S/c1-13(27)23-17-12-15(8-9-22-17)19-18(14-4-6-16(21)7-5-14)24-20(28-2)25(19)10-3-11-26/h4-9,12,26H,3,10-11H2,1-2H3,(H,22,23,27)
InChIKeyRLQYLEQINVCBOQ-UHFFFAOYSA-N
XLogP3.81
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cbs-3595
CID 11639342
Imidazopyridine 18b
CID 5329352
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
N-[3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 137637707
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
N-[3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-5-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 137638797
N-[2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]prop-2-enamide
CID 137639513
N-[3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]phenyl]prop-2-enamide
CID 137644357
N-[6-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-2-pyridinyl]prop-2-enamide
CID 137658864
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]-2-pyridinyl]acetamide
CID 9934928
3-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-ylthio)propane-1,2-diol
CID 9974846

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (CID 11188782) is N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCO.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is RLQYLEQINVCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-13(27)23-17-12-15(8-9-22-17)19-18(14-4-6-16(21)7-5-14)24-20(28-2)25(19)10-3-11-26/h4-9,12,26H,3,10-11H2,1-2H3,(H,22,23,27).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11188782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).