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

C17H21N5O — CID 56874880

IUPAC3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine
SMILESCCc1nc(-c2nccn2CCCOc2cccnc2)c(C)[nH]1
InChIInChI=1S/C17H21N5O/c1-3-15-20-13(2)16(21-15)17-19-8-10-22(17)9-5-11-23-14-6-4-7-18-12-14/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,20,21)
InChIKeyRYERHJWAEGILFM-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.01
Rot. Bonds7

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

3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine (PubChem CID 56874880) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine.

Molecular Properties

Compound Name3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine
PubChem CID56874880
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine
SMILESCCc1nc(-c2nccn2CCCOc2cccnc2)c(C)[nH]1
InChIInChI=1S/C17H21N5O/c1-3-15-20-13(2)16(21-15)17-19-8-10-22(17)9-5-11-23-14-6-4-7-18-12-14/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,20,21)
InChIKeyRYERHJWAEGILFM-UHFFFAOYSA-N
XLogP3.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine?
The IUPAC name of 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine (CID 56874880) is 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine.
What is the SMILES notation for 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine?
The canonical SMILES for 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine is CCc1nc(-c2nccn2CCCOc2cccnc2)c(C)[nH]1.
What is the InChIKey of 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine?
The InChIKey is RYERHJWAEGILFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-15-20-13(2)16(21-15)17-19-8-10-22(17)9-5-11-23-14-6-4-7-18-12-14/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine?
3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine has a molecular weight of 311.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine is sourced from PubChem (CID 56874880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).