4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

C21H18ClN3O2 — CID 7338000

IUPAC4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C21H18ClN3O2/c1-13-3-10-19-24-20(14-4-9-17(26)18(11-14)27-2)21(25(19)12-13)23-16-7-5-15(22)6-8-16/h3-12,23,26H,1-2H3
InChIKeyHSYIAUSQEMANIJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.42
Rot. Bonds4

About 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (PubChem CID 7338000) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
PubChem CID7338000
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C21H18ClN3O2/c1-13-3-10-19-24-20(14-4-9-17(26)18(11-14)27-2)21(25(19)12-13)23-16-7-5-15(22)6-8-16/h3-12,23,26H,1-2H3
InChIKeyHSYIAUSQEMANIJ-UHFFFAOYSA-N
XLogP5.42
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (CID 7338000) is 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The InChIKey is HSYIAUSQEMANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-3-10-19-24-20(14-4-9-17(26)18(11-14)27-2)21(25(19)12-13)23-16-7-5-15(22)6-8-16/h3-12,23,26H,1-2H3.
What are the key properties of 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol has a molecular weight of 379.85 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloroanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 7338000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).