3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

C18H20N8 — CID 56918073

IUPAC3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCCc1nc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)c(C)[nH]1
InChIInChI=1S/C18H20N8/c1-3-14-21-12(2)16(22-14)18-20-8-10-26(18)9-6-15-23-17(25-24-15)13-5-4-7-19-11-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyFEVDDFHBIVNHBM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.57
Rot. Bonds6

About 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 56918073) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID56918073
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCCc1nc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)c(C)[nH]1
InChIInChI=1S/C18H20N8/c1-3-14-21-12(2)16(22-14)18-20-8-10-26(18)9-6-15-23-17(25-24-15)13-5-4-7-19-11-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyFEVDDFHBIVNHBM-UHFFFAOYSA-N
XLogP2.57
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 56918073) is 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is CCc1nc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)c(C)[nH]1.
What is the InChIKey of 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is FEVDDFHBIVNHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-3-14-21-12(2)16(22-14)18-20-8-10-26(18)9-6-15-23-17(25-24-15)13-5-4-7-19-11-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H,23,24,25).
What are the key properties of 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 348.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 56918073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).