2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol

C21H19N3O — CID 3489129

IUPAC2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1
InChIInChI=1S/C21H19N3O/c1-14-7-9-16(10-8-14)22-21-20(17-5-3-4-6-18(17)25)23-19-13-15(2)11-12-24(19)21/h3-13,22,25H,1-2H3
InChIKeyATKPIZQFBDDTBY-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.07
Rot. Bonds3

About 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol

2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 3489129) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID3489129
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1
InChIInChI=1S/C21H19N3O/c1-14-7-9-16(10-8-14)22-21-20(17-5-3-4-6-18(17)25)23-19-13-15(2)11-12-24(19)21/h3-13,22,25H,1-2H3
InChIKeyATKPIZQFBDDTBY-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 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 3489129) is 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1.
What is the InChIKey of 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is ATKPIZQFBDDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-7-9-16(10-8-14)22-21-20(17-5-3-4-6-18(17)25)23-19-13-15(2)11-12-24(19)21/h3-13,22,25H,1-2H3.
What are the key properties of 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[7-methyl-3-(4-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 2-[7-methyl-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 3489129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).