2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine

C20H20N4O — CID 14201506

IUPAC2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(-c3ccc(OCCCn4ccnc4)cc3)nc12
InChIInChI=1S/C20H20N4O/c1-16-4-2-11-24-14-19(22-20(16)24)17-5-7-18(8-6-17)25-13-3-10-23-12-9-21-15-23/h2,4-9,11-12,14-15H,3,10,13H2,1H3
InChIKeySJSFKHIUFCTMMV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine

2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 14201506) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID14201506
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(-c3ccc(OCCCn4ccnc4)cc3)nc12
InChIInChI=1S/C20H20N4O/c1-16-4-2-11-24-14-19(22-20(16)24)17-5-7-18(8-6-17)25-13-3-10-23-12-9-21-15-23/h2,4-9,11-12,14-15H,3,10,13H2,1H3
InChIKeySJSFKHIUFCTMMV-UHFFFAOYSA-N
XLogP3.98
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine (CID 14201506) is 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine is Cc1cccn2cc(-c3ccc(OCCCn4ccnc4)cc3)nc12.
What is the InChIKey of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is SJSFKHIUFCTMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-16-4-2-11-24-14-19(22-20(16)24)17-5-7-18(8-6-17)25-13-3-10-23-12-9-21-15-23/h2,4-9,11-12,14-15H,3,10,13H2,1H3.
What are the key properties of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine?
2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 332.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 14201506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).