2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine

C22H19F4N5 — CID 10342583

IUPAC2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc(C)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F4N5/c1-3-31-19(13-30-11-10-27-21(30)17-8-5-9-18(23)29-17)28-14(2)20(31)15-6-4-7-16(12-15)22(24,25)26/h4-12H,3,13H2,1-2H3
InChIKeyLZCJGXYFHRNLHU-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.34
Rot. Bonds5

About 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine

2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine (PubChem CID 10342583) has the molecular formula C22H19F4N5 and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine.

Molecular Properties

Compound Name2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
PubChem CID10342583
Molecular FormulaC22H19F4N5
Molecular Weight429.42 g/mol
Exact Mass429.16
IUPAC Name2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc(C)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F4N5/c1-3-31-19(13-30-11-10-27-21(30)17-8-5-9-18(23)29-17)28-14(2)20(31)15-6-4-7-16(12-15)22(24,25)26/h4-12H,3,13H2,1-2H3
InChIKeyLZCJGXYFHRNLHU-UHFFFAOYSA-N
XLogP5.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The IUPAC name of 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine (CID 10342583) is 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine.
What is the SMILES notation for 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The canonical SMILES for 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine is CCn1c(Cn2ccnc2-c2cccc(F)n2)nc(C)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The InChIKey is LZCJGXYFHRNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5/c1-3-31-19(13-30-11-10-27-21(30)17-8-5-9-18(23)29-17)28-14(2)20(31)15-6-4-7-16(12-15)22(24,25)26/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine has a molecular weight of 429.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-4-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine is sourced from PubChem (CID 10342583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).