6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C21H16ClFN2 — CID 51360074

IUPAC6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C21H16ClFN2/c1-14-5-7-16(8-6-14)21-19(12-15-3-2-4-18(23)11-15)25-13-17(22)9-10-20(25)24-21/h2-11,13H,12H2,1H3
InChIKeyWUDPDCAOLHWKHC-UHFFFAOYSA-N
MW350.82 g/mol
LogP5.69
Rot. Bonds3

About 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine

6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 51360074) has the molecular formula C21H16ClFN2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID51360074
Molecular FormulaC21H16ClFN2
Molecular Weight350.82 g/mol
Exact Mass350.10
IUPAC Name6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C21H16ClFN2/c1-14-5-7-16(8-6-14)21-19(12-15-3-2-4-18(23)11-15)25-13-17(22)9-10-20(25)24-21/h2-11,13H,12H2,1H3
InChIKeyWUDPDCAOLHWKHC-UHFFFAOYSA-N
XLogP5.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.82
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 51360074) is 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1.
What is the InChIKey of 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is WUDPDCAOLHWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2/c1-14-5-7-16(8-6-14)21-19(12-15-3-2-4-18(23)11-15)25-13-17(22)9-10-20(25)24-21/h2-11,13H,12H2,1H3.
What are the key properties of 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 350.82 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).