3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine

C22H20N2O — CID 58191920

IUPAC3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccccn23)ccc1O[C@H](C)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-16-14-19(20-15-23-22-10-6-7-13-24(20)22)11-12-21(16)25-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyVNIJDGBUNZTRMN-QGZVFWFLSA-N
MW328.42 g/mol
LogP5.45
Rot. Bonds4

About 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine

3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 58191920) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID58191920
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccccn23)ccc1O[C@H](C)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-16-14-19(20-15-23-22-10-6-7-13-24(20)22)11-12-21(16)25-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyVNIJDGBUNZTRMN-QGZVFWFLSA-N
XLogP5.45
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine (CID 58191920) is 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine is Cc1cc(-c2cnc3ccccn23)ccc1O[C@H](C)c1ccccc1.
What is the InChIKey of 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is VNIJDGBUNZTRMN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-14-19(20-15-23-22-10-6-7-13-24(20)22)11-12-21(16)25-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3/t17-/m1/s1.
What are the key properties of 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine?
3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 328.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[(1R)-1-phenylethoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 58191920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).