6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine

C21H17FN2O — CID 58191816

IUPAC6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3cc(F)ccc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H17FN2O/c1-15-11-17(19-13-24-12-18(22)8-10-21(24)23-19)7-9-20(15)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyHNYHUEIFTQHWKF-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.03
Rot. Bonds4

About 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine

6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 58191816) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID58191816
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3cc(F)ccc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H17FN2O/c1-15-11-17(19-13-24-12-18(22)8-10-21(24)23-19)7-9-20(15)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyHNYHUEIFTQHWKF-UHFFFAOYSA-N
XLogP5.03
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine (CID 58191816) is 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine is Cc1cc(-c2cn3cc(F)ccc3n2)ccc1OCc1ccccc1.
What is the InChIKey of 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is HNYHUEIFTQHWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-15-11-17(19-13-24-12-18(22)8-10-21(24)23-19)7-9-20(15)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine?
6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 332.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 58191816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).