2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine

C17H21N5 — CID 56745840

IUPAC2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine
SMILESCCCCc1ncc(-c2nccn2CCc2ccccn2)[nH]1
InChIInChI=1S/C17H21N5/c1-2-3-7-16-20-13-15(21-16)17-19-10-12-22(17)11-8-14-6-4-5-9-18-14/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3,(H,20,21)
InChIKeyMJHCWEXYAIJKMH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.25
Rot. Bonds7

About 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine

2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine (PubChem CID 56745840) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine
PubChem CID56745840
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine
SMILESCCCCc1ncc(-c2nccn2CCc2ccccn2)[nH]1
InChIInChI=1S/C17H21N5/c1-2-3-7-16-20-13-15(21-16)17-19-10-12-22(17)11-8-14-6-4-5-9-18-14/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3,(H,20,21)
InChIKeyMJHCWEXYAIJKMH-UHFFFAOYSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine (CID 56745840) is 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine is CCCCc1ncc(-c2nccn2CCc2ccccn2)[nH]1.
What is the InChIKey of 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine?
The InChIKey is MJHCWEXYAIJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-3-7-16-20-13-15(21-16)17-19-10-12-22(17)11-8-14-6-4-5-9-18-14/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine?
2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 56745840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).