2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine

C18H16F4N6 — CID 138374842

IUPAC2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine
SMILESCn1cnc(-c2cc(C3NNNC3C(F)(F)F)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H16F4N6/c1-28-9-24-15(16(28)10-2-4-12(19)5-3-10)13-8-11(6-7-23-13)14-17(18(20,21)22)26-27-25-14/h2-9,14,17,25-27H,1H3
InChIKeyNRHZCVTXBCXTHU-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.87
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine

2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine (PubChem CID 138374842) has the molecular formula C18H16F4N6 and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine
PubChem CID138374842
Molecular FormulaC18H16F4N6
Molecular Weight392.36 g/mol
Exact Mass392.14
IUPAC Name2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine
SMILESCn1cnc(-c2cc(C3NNNC3C(F)(F)F)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H16F4N6/c1-28-9-24-15(16(28)10-2-4-12(19)5-3-10)13-8-11(6-7-23-13)14-17(18(20,21)22)26-27-25-14/h2-9,14,17,25-27H,1H3
InChIKeyNRHZCVTXBCXTHU-UHFFFAOYSA-N
XLogP2.87
TPSA66.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine (CID 138374842) is 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine is Cn1cnc(-c2cc(C3NNNC3C(F)(F)F)ccn2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine?
The InChIKey is NRHZCVTXBCXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6/c1-28-9-24-15(16(28)10-2-4-12(19)5-3-10)13-8-11(6-7-23-13)14-17(18(20,21)22)26-27-25-14/h2-9,14,17,25-27H,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine?
2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine has a molecular weight of 392.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-[5-(trifluoromethyl)triazolidin-4-yl]pyridine is sourced from PubChem (CID 138374842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).