2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C18H13ClN4O — CID 135416444

IUPAC2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O/c19-12-5-7-13(8-6-12)21-18-17(14-3-1-2-4-15(14)24)22-16-11-20-9-10-23(16)18/h1-11,21,24H
InChIKeyAEPCCTWNTGUVPV-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.50
Rot. Bonds3

About 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135416444) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135416444
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O/c19-12-5-7-13(8-6-12)21-18-17(14-3-1-2-4-15(14)24)22-16-11-20-9-10-23(16)18/h1-11,21,24H
InChIKeyAEPCCTWNTGUVPV-UHFFFAOYSA-N
XLogP4.50
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135416444) is 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is AEPCCTWNTGUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-12-5-7-13(8-6-12)21-18-17(14-3-1-2-4-15(14)24)22-16-11-20-9-10-23(16)18/h1-11,21,24H.
What are the key properties of 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 336.78 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135416444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).