4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol

C24H21ClN2O2 — CID 155514632

IUPAC4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol
SMILESOC1(c2cccc(-c3ccc4nc(-c5ccc(Cl)cc5)cn4c3)c2)CCOCC1
InChIInChI=1S/C24H21ClN2O2/c25-21-7-4-17(5-8-21)22-16-27-15-19(6-9-23(27)26-22)18-2-1-3-20(14-18)24(28)10-12-29-13-11-24/h1-9,14-16,28H,10-13H2
InChIKeyWSMNBULTJKOYFD-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.32
Rot. Bonds3

About 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol

4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol (PubChem CID 155514632) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol
PubChem CID155514632
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol
SMILESOC1(c2cccc(-c3ccc4nc(-c5ccc(Cl)cc5)cn4c3)c2)CCOCC1
InChIInChI=1S/C24H21ClN2O2/c25-21-7-4-17(5-8-21)22-16-27-15-19(6-9-23(27)26-22)18-2-1-3-20(14-18)24(28)10-12-29-13-11-24/h1-9,14-16,28H,10-13H2
InChIKeyWSMNBULTJKOYFD-UHFFFAOYSA-N
XLogP5.32
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol?
The IUPAC name of 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol (CID 155514632) is 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol is OC1(c2cccc(-c3ccc4nc(-c5ccc(Cl)cc5)cn4c3)c2)CCOCC1.
What is the InChIKey of 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol?
The InChIKey is WSMNBULTJKOYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-21-7-4-17(5-8-21)22-16-27-15-19(6-9-23(27)26-22)18-2-1-3-20(14-18)24(28)10-12-29-13-11-24/h1-9,14-16,28H,10-13H2.
What are the key properties of 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol?
4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol has a molecular weight of 404.90 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol is sourced from PubChem (CID 155514632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).