2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C19H17FN6 — CID 121460617

IUPAC2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)c(F)c1
InChIInChI=1S/C19H17FN6/c1-12-3-4-15(16(20)7-12)9-26-10-18(22-11-26)17-8-14(5-6-21-17)19-13(2)23-25-24-19/h3-8,10-11H,9H2,1-2H3,(H,23,24,25)
InChIKeyUAUBFRUPENQBBE-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.53
Rot. Bonds4

About 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121460617) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121460617
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)c(F)c1
InChIInChI=1S/C19H17FN6/c1-12-3-4-15(16(20)7-12)9-26-10-18(22-11-26)17-8-14(5-6-21-17)19-13(2)23-25-24-19/h3-8,10-11H,9H2,1-2H3,(H,23,24,25)
InChIKeyUAUBFRUPENQBBE-UHFFFAOYSA-N
XLogP3.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121460617) is 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)c(F)c1.
What is the InChIKey of 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is UAUBFRUPENQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-12-3-4-15(16(20)7-12)9-26-10-18(22-11-26)17-8-14(5-6-21-17)19-13(2)23-25-24-19/h3-8,10-11H,9H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 348.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121460617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).