3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C20H18N4O — CID 53208182

IUPAC3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1
InChIInChI=1S/C20H18N4O/c1-13-8-14(2)10-16(9-13)22-20-19(15-4-3-5-17(25)11-15)23-18-12-21-6-7-24(18)20/h3-12,22,25H,1-2H3
InChIKeyPEGDOLMMQPKPJL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds3

About 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 53208182) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID53208182
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1
InChIInChI=1S/C20H18N4O/c1-13-8-14(2)10-16(9-13)22-20-19(15-4-3-5-17(25)11-15)23-18-12-21-6-7-24(18)20/h3-12,22,25H,1-2H3
InChIKeyPEGDOLMMQPKPJL-UHFFFAOYSA-N
XLogP4.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 53208182) is 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1.
What is the InChIKey of 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is PEGDOLMMQPKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-8-14(2)10-16(9-13)22-20-19(15-4-3-5-17(25)11-15)23-18-12-21-6-7-24(18)20/h3-12,22,25H,1-2H3.
What are the key properties of 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 53208182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).