2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

C20H20N6O — CID 118956669

IUPAC2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESCCOc1ccccc1CCn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C20H20N6O/c1-2-27-20-6-4-3-5-15(20)8-10-26-13-19(22-14-26)17-11-16(7-9-21-17)18-12-23-25-24-18/h3-7,9,11-14H,2,8,10H2,1H3,(H,23,24,25)
InChIKeyYIGRHNBSMBEKHZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.37
Rot. Bonds7

About 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (PubChem CID 118956669) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
PubChem CID118956669
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESCCOc1ccccc1CCn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C20H20N6O/c1-2-27-20-6-4-3-5-15(20)8-10-26-13-19(22-14-26)17-11-16(7-9-21-17)18-12-23-25-24-18/h3-7,9,11-14H,2,8,10H2,1H3,(H,23,24,25)
InChIKeyYIGRHNBSMBEKHZ-UHFFFAOYSA-N
XLogP3.37
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (CID 118956669) is 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is CCOc1ccccc1CCn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1.
What is the InChIKey of 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The InChIKey is YIGRHNBSMBEKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-27-20-6-4-3-5-15(20)8-10-26-13-19(22-14-26)17-11-16(7-9-21-17)18-12-23-25-24-18/h3-7,9,11-14H,2,8,10H2,1H3,(H,23,24,25).
What are the key properties of 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine has a molecular weight of 360.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 118956669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).