2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

C18H13F3N6 — CID 121454336

IUPAC2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C18H13F3N6/c19-18(20,21)17-16(24-26-25-17)13-6-7-22-14(8-13)15-10-27(11-23-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,24,25,26)
InChIKeyCFLXWMJCWGKVFJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.80
Rot. Bonds4

About 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (PubChem CID 121454336) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
PubChem CID121454336
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C18H13F3N6/c19-18(20,21)17-16(24-26-25-17)13-6-7-22-14(8-13)15-10-27(11-23-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,24,25,26)
InChIKeyCFLXWMJCWGKVFJ-UHFFFAOYSA-N
XLogP3.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The IUPAC name of 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (CID 121454336) is 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The canonical SMILES for 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is FC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3)cn2)c1.
What is the InChIKey of 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The InChIKey is CFLXWMJCWGKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c19-18(20,21)17-16(24-26-25-17)13-6-7-22-14(8-13)15-10-27(11-23-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,24,25,26).
What are the key properties of 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine has a molecular weight of 370.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 121454336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).