2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

C22H16Cl2F2N2O — CID 11743574

IUPAC2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cc(Cl)cc(Cl)c4)c3)cnc2c1F
InChIInChI=1S/C22H16Cl2F2N2O/c1-22(2,29)17-5-6-28-19(11-27-21(28)20(17)26)12-3-4-18(25)16(9-12)13-7-14(23)10-15(24)8-13/h3-11,29H,1-2H3
InChIKeyHFDLCKYIBINBMA-UHFFFAOYSA-N
MW433.29 g/mol
LogP6.48
Rot. Bonds3

About 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 11743574) has the molecular formula C22H16Cl2F2N2O and a molecular weight of 433.29 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID11743574
Molecular FormulaC22H16Cl2F2N2O
Molecular Weight433.29 g/mol
Exact Mass432.06
IUPAC Name2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cc(Cl)cc(Cl)c4)c3)cnc2c1F
InChIInChI=1S/C22H16Cl2F2N2O/c1-22(2,29)17-5-6-28-19(11-27-21(28)20(17)26)12-3-4-18(25)16(9-12)13-7-14(23)10-15(24)8-13/h3-11,29H,1-2H3
InChIKeyHFDLCKYIBINBMA-UHFFFAOYSA-N
XLogP6.48
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 11743574) is 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cc(Cl)cc(Cl)c4)c3)cnc2c1F.
What is the InChIKey of 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is HFDLCKYIBINBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F2N2O/c1-22(2,29)17-5-6-28-19(11-27-21(28)20(17)26)12-3-4-18(25)16(9-12)13-7-14(23)10-15(24)8-13/h3-11,29H,1-2H3.
What are the key properties of 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 433.29 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 11743574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).