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

C17H13FN6 — CID 118956683

IUPAC2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESFc1ccc(Cc2[nH]cnc2-c2cc(-c3cn[nH]n3)ccn2)cc1
InChIInChI=1S/C17H13FN6/c18-13-3-1-11(2-4-13)7-14-17(21-10-20-14)15-8-12(5-6-19-15)16-9-22-24-23-16/h1-6,8-10H,7H2,(H,20,21)(H,22,23,24)
InChIKeyCNHDIUMQMMEWLG-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.99
Rot. Bonds4

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

2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (PubChem CID 118956683) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
PubChem CID118956683
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESFc1ccc(Cc2[nH]cnc2-c2cc(-c3cn[nH]n3)ccn2)cc1
InChIInChI=1S/C17H13FN6/c18-13-3-1-11(2-4-13)7-14-17(21-10-20-14)15-8-12(5-6-19-15)16-9-22-24-23-16/h1-6,8-10H,7H2,(H,20,21)(H,22,23,24)
InChIKeyCNHDIUMQMMEWLG-UHFFFAOYSA-N
XLogP2.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (CID 118956683) is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is Fc1ccc(Cc2[nH]cnc2-c2cc(-c3cn[nH]n3)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The InChIKey is CNHDIUMQMMEWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c18-13-3-1-11(2-4-13)7-14-17(21-10-20-14)15-8-12(5-6-19-15)16-9-22-24-23-16/h1-6,8-10H,7H2,(H,20,21)(H,22,23,24).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine has a molecular weight of 320.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 118956683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).