4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol

C21H19N3O — CID 5233037

IUPAC4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(O)cc2)nc2c(C)cccn12
InChIInChI=1S/C21H19N3O/c1-14-6-3-4-8-18(14)22-21-19(16-9-11-17(25)12-10-16)23-20-15(2)7-5-13-24(20)21/h3-13,22,25H,1-2H3
InChIKeyQIYPLGBZYZVPDK-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.07
Rot. Bonds3

About 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol

4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 5233037) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID5233037
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(O)cc2)nc2c(C)cccn12
InChIInChI=1S/C21H19N3O/c1-14-6-3-4-8-18(14)22-21-19(16-9-11-17(25)12-10-16)23-20-15(2)7-5-13-24(20)21/h3-13,22,25H,1-2H3
InChIKeyQIYPLGBZYZVPDK-UHFFFAOYSA-N
XLogP5.07
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 5233037) is 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2c(C)cccn12.
What is the InChIKey of 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is QIYPLGBZYZVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-6-3-4-8-18(14)22-21-19(16-9-11-17(25)12-10-16)23-20-15(2)7-5-13-24(20)21/h3-13,22,25H,1-2H3.
What are the key properties of 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methyl-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 5233037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).