2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine

C20H15ClFN3 — CID 67231915

IUPAC2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(Cl)c(-c2nc3ccccn3c2Nc2ccccc2)c1F
InChIInChI=1S/C20H15ClFN3/c1-13-10-11-15(21)17(18(13)22)19-20(23-14-7-3-2-4-8-14)25-12-6-5-9-16(25)24-19/h2-12,23H,1H3
InChIKeyIOKOMEOIBPVTBF-UHFFFAOYSA-N
MW351.81 g/mol
LogP5.85
Rot. Bonds3

About 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine

2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 67231915) has the molecular formula C20H15ClFN3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID67231915
Molecular FormulaC20H15ClFN3
Molecular Weight351.81 g/mol
Exact Mass351.09
IUPAC Name2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(Cl)c(-c2nc3ccccn3c2Nc2ccccc2)c1F
InChIInChI=1S/C20H15ClFN3/c1-13-10-11-15(21)17(18(13)22)19-20(23-14-7-3-2-4-8-14)25-12-6-5-9-16(25)24-19/h2-12,23H,1H3
InChIKeyIOKOMEOIBPVTBF-UHFFFAOYSA-N
XLogP5.85
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 67231915) is 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine is Cc1ccc(Cl)c(-c2nc3ccccn3c2Nc2ccccc2)c1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IOKOMEOIBPVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3/c1-13-10-11-15(21)17(18(13)22)19-20(23-14-7-3-2-4-8-14)25-12-6-5-9-16(25)24-19/h2-12,23H,1H3.
What are the key properties of 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 351.81 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 67231915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).