2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide

C23H18F2N4OS — CID 50899367

IUPAC2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H18F2N4OS/c1-31-23-28-21(15-4-8-18(25)9-5-15)22(29-23)16-10-11-26-19(13-16)27-20(30)12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyIUCRTXMTGDSAKX-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 50899367) has the molecular formula C23H18F2N4OS and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID50899367
Molecular FormulaC23H18F2N4OS
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H18F2N4OS/c1-31-23-28-21(15-4-8-18(25)9-5-15)22(29-23)16-10-11-26-19(13-16)27-20(30)12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyIUCRTXMTGDSAKX-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide (CID 50899367) is 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is IUCRTXMTGDSAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS/c1-31-23-28-21(15-4-8-18(25)9-5-15)22(29-23)16-10-11-26-19(13-16)27-20(30)12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,28,29)(H,26,27,30).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 50899367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).