1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol

C17H17F2N3O2 — CID 111466958

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
SMILESOC(CNCc1cn2ccccc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2N3O2/c18-17(19)24-14-6-4-12(5-7-14)15(23)10-20-9-13-11-22-8-2-1-3-16(22)21-13/h1-8,11,15,17,20,23H,9-10H2
InChIKeyDANHPTNXPYOKEU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.76
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol (PubChem CID 111466958) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
PubChem CID111466958
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
SMILESOC(CNCc1cn2ccccc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2N3O2/c18-17(19)24-14-6-4-12(5-7-14)15(23)10-20-9-13-11-22-8-2-1-3-16(22)21-13/h1-8,11,15,17,20,23H,9-10H2
InChIKeyDANHPTNXPYOKEU-UHFFFAOYSA-N
XLogP2.76
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol (CID 111466958) is 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol is OC(CNCc1cn2ccccc2n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol?
The InChIKey is DANHPTNXPYOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-17(19)24-14-6-4-12(5-7-14)15(23)10-20-9-13-11-22-8-2-1-3-16(22)21-13/h1-8,11,15,17,20,23H,9-10H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol has a molecular weight of 333.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol is sourced from PubChem (CID 111466958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).