3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol

C18H12ClN3O — CID 155560240

IUPAC3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3cnc(-c4ccccc4Cl)cn23)c1
InChIInChI=1S/C18H12ClN3O/c19-15-7-2-1-6-14(15)16-11-22-17(9-21-18(22)10-20-16)12-4-3-5-13(23)8-12/h1-11,23H
InChIKeySFYIDLYPJQLFPF-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.42
Rot. Bonds2

About 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol

3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 155560240) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID155560240
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3cnc(-c4ccccc4Cl)cn23)c1
InChIInChI=1S/C18H12ClN3O/c19-15-7-2-1-6-14(15)16-11-22-17(9-21-18(22)10-20-16)12-4-3-5-13(23)8-12/h1-11,23H
InChIKeySFYIDLYPJQLFPF-UHFFFAOYSA-N
XLogP4.42
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 155560240) is 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1cccc(-c2cnc3cnc(-c4ccccc4Cl)cn23)c1.
What is the InChIKey of 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is SFYIDLYPJQLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-15-7-2-1-6-14(15)16-11-22-17(9-21-18(22)10-20-16)12-4-3-5-13(23)8-12/h1-11,23H.
What are the key properties of 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 321.77 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 155560240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).