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

C19H18N6O — CID 121460620

IUPAC2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCOc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)cc1
InChIInChI=1S/C19H18N6O/c1-13-19(23-24-22-13)15-7-8-20-17(9-15)18-11-25(12-21-18)10-14-3-5-16(26-2)6-4-14/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)
InChIKeyQUJUAWYJEGGVGP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.10
Rot. Bonds5

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

2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121460620) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121460620
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCOc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)cc1
InChIInChI=1S/C19H18N6O/c1-13-19(23-24-22-13)15-7-8-20-17(9-15)18-11-25(12-21-18)10-14-3-5-16(26-2)6-4-14/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)
InChIKeyQUJUAWYJEGGVGP-UHFFFAOYSA-N
XLogP3.10
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460612
2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460617
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine
CID 121460663
4-[5-iodo-1-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine
CID 121282962
[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane
CID 140710238
2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288400
2-[1-[[(3S)-6-fluoro-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288427
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288454
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288455
2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454350

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121460620) is 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is COc1ccc(Cn2cnc(-c3cc(-c4n[nH]nc4C)ccn3)c2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is QUJUAWYJEGGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-19(23-24-22-13)15-7-8-20-17(9-15)18-11-25(12-21-18)10-14-3-5-16(26-2)6-4-14/h3-9,11-12H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 346.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121460620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).