2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

C18H11F5N6 — CID 121454363

IUPAC2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C(F)(F)F)ccn3)c2)c(F)c1
InChIInChI=1S/C18H11F5N6/c19-12-2-1-11(13(20)6-12)7-29-8-15(25-9-29)14-5-10(3-4-24-14)16-17(18(21,22)23)27-28-26-16/h1-6,8-9H,7H2,(H,26,27,28)
InChIKeyLABVGZXSSYPADP-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.08
Rot. Bonds4

About 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (PubChem CID 121454363) has the molecular formula C18H11F5N6 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
PubChem CID121454363
Molecular FormulaC18H11F5N6
Molecular Weight406.32 g/mol
Exact Mass406.10
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C(F)(F)F)ccn3)c2)c(F)c1
InChIInChI=1S/C18H11F5N6/c19-12-2-1-11(13(20)6-12)7-29-8-15(25-9-29)14-5-10(3-4-24-14)16-17(18(21,22)23)27-28-26-16/h1-6,8-9H,7H2,(H,26,27,28)
InChIKeyLABVGZXSSYPADP-UHFFFAOYSA-N
XLogP4.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (CID 121454363) is 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is Fc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C(F)(F)F)ccn3)c2)c(F)c1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The InChIKey is LABVGZXSSYPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N6/c19-12-2-1-11(13(20)6-12)7-29-8-15(25-9-29)14-5-10(3-4-24-14)16-17(18(21,22)23)27-28-26-16/h1-6,8-9H,7H2,(H,26,27,28).
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine has a molecular weight of 406.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 121454363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).