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

C20H20F2N4OS — CID 52949171

IUPACN-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCF
InChIInChI=1S/C20H20F2N4OS/c1-13(27)24-17-12-15(8-10-23-17)19-18(14-4-6-16(22)7-5-14)25-20(28-2)26(19)11-3-9-21/h4-8,10,12H,3,9,11H2,1-2H3,(H,23,24,27)
InChIKeyHXRNRONSFRJKJG-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.79
Rot. Bonds7

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

N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 52949171) has the molecular formula C20H20F2N4OS and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID52949171
Molecular FormulaC20H20F2N4OS
Molecular Weight402.47 g/mol
Exact Mass402.13
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCF
InChIInChI=1S/C20H20F2N4OS/c1-13(27)24-17-12-15(8-10-23-17)19-18(14-4-6-16(22)7-5-14)25-20(28-2)26(19)11-3-9-21/h4-8,10,12H,3,9,11H2,1-2H3,(H,23,24,27)
InChIKeyHXRNRONSFRJKJG-UHFFFAOYSA-N
XLogP4.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (CID 52949171) is N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCF.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is HXRNRONSFRJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS/c1-13(27)24-17-12-15(8-10-23-17)19-18(14-4-6-16(22)7-5-14)25-20(28-2)26(19)11-3-9-21/h4-8,10,12H,3,9,11H2,1-2H3,(H,23,24,27).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 402.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-(3-fluoropropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 52949171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).