2-hexyl-5-methylimidazo[1,2-a]pyridine

C14H20N2 — CID 102626126

IUPAC2-hexyl-5-methylimidazo[1,2-a]pyridine
SMILESCCCCCCc1cn2c(C)cccc2n1
InChIInChI=1S/C14H20N2/c1-3-4-5-6-9-13-11-16-12(2)8-7-10-14(16)15-13/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWIDXAPMVBCABAO-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.77
Rot. Bonds5

About 2-hexyl-5-methylimidazo[1,2-a]pyridine

2-hexyl-5-methylimidazo[1,2-a]pyridine (PubChem CID 102626126) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-hexyl-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-hexyl-5-methylimidazo[1,2-a]pyridine
PubChem CID102626126
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-hexyl-5-methylimidazo[1,2-a]pyridine
SMILESCCCCCCc1cn2c(C)cccc2n1
InChIInChI=1S/C14H20N2/c1-3-4-5-6-9-13-11-16-12(2)8-7-10-14(16)15-13/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWIDXAPMVBCABAO-UHFFFAOYSA-N
XLogP3.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-hexyl-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-hexyl-5-methylimidazo[1,2-a]pyridine (CID 102626126) is 2-hexyl-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-hexyl-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-hexyl-5-methylimidazo[1,2-a]pyridine is CCCCCCc1cn2c(C)cccc2n1.
What is the InChIKey of 2-hexyl-5-methylimidazo[1,2-a]pyridine?
The InChIKey is WIDXAPMVBCABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-6-9-13-11-16-12(2)8-7-10-14(16)15-13/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-hexyl-5-methylimidazo[1,2-a]pyridine?
2-hexyl-5-methylimidazo[1,2-a]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 102626126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).