2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine

C28H47N3O — CID 67835206

IUPAC2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine
SMILESCCCCCCCCCCCCCCCC1CCC(CCn2c(C)nc3cnccc32)O1
InChIInChI=1S/C28H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-17-18-26(32-25)20-22-31-24(2)30-27-23-29-21-19-28(27)31/h19,21,23,25-26H,3-18,20,22H2,1-2H3
InChIKeyWPDGAKZNPDKKCV-UHFFFAOYSA-N
MW441.70 g/mol
LogP8.16
Rot. Bonds17

About 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine

2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine (PubChem CID 67835206) has the molecular formula C28H47N3O and a molecular weight of 441.70 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine
PubChem CID67835206
Molecular FormulaC28H47N3O
Molecular Weight441.70 g/mol
Exact Mass441.37
IUPAC Name2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine
SMILESCCCCCCCCCCCCCCCC1CCC(CCn2c(C)nc3cnccc32)O1
InChIInChI=1S/C28H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-17-18-26(32-25)20-22-31-24(2)30-27-23-29-21-19-28(27)31/h19,21,23,25-26H,3-18,20,22H2,1-2H3
InChIKeyWPDGAKZNPDKKCV-UHFFFAOYSA-N
XLogP8.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine (CID 67835206) is 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine is CCCCCCCCCCCCCCCC1CCC(CCn2c(C)nc3cnccc32)O1.
What is the InChIKey of 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine?
The InChIKey is WPDGAKZNPDKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-17-18-26(32-25)20-22-31-24(2)30-27-23-29-21-19-28(27)31/h19,21,23,25-26H,3-18,20,22H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine?
2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine has a molecular weight of 441.70 g/mol, XLogP of 8.16, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 67835206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).