2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol

C24H33N3O2 — CID 10178836

IUPAC2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(O)c3n2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-5-14-26(15-6-4-2)16-8-18-29-21-12-10-20(11-13-21)22-19-27-17-7-9-23(28)24(27)25-22/h7,9-13,17,19,28H,3-6,8,14-16,18H2,1-2H3
InChIKeyIUAMCFKBIUDPDK-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.38
Rot. Bonds12

About 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol

2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol (PubChem CID 10178836) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol
PubChem CID10178836
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(O)c3n2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-5-14-26(15-6-4-2)16-8-18-29-21-12-10-20(11-13-21)22-19-27-17-7-9-23(28)24(27)25-22/h7,9-13,17,19,28H,3-6,8,14-16,18H2,1-2H3
InChIKeyIUAMCFKBIUDPDK-UHFFFAOYSA-N
XLogP5.38
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.38
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 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol (CID 10178836) is 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol is CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(O)c3n2)cc1.
What is the InChIKey of 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol?
The InChIKey is IUAMCFKBIUDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-5-14-26(15-6-4-2)16-8-18-29-21-12-10-20(11-13-21)22-19-27-17-7-9-23(28)24(27)25-22/h7,9-13,17,19,28H,3-6,8,14-16,18H2,1-2H3.
What are the key properties of 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol?
2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol has a molecular weight of 395.55 g/mol, XLogP of 5.38, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 10178836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).