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

C20H17N3O — CID 155545404

IUPAC3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1C
InChIInChI=1S/C20H17N3O/c1-13-5-3-8-17(14(13)2)18-12-23-19(10-22-20(23)11-21-18)15-6-4-7-16(24)9-15/h3-12,24H,1-2H3
InChIKeyMLJXBPNBDRNHET-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.39
Rot. Bonds2

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

3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 155545404) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID155545404
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1C
InChIInChI=1S/C20H17N3O/c1-13-5-3-8-17(14(13)2)18-12-23-19(10-22-20(23)11-21-18)15-6-4-7-16(24)9-15/h3-12,24H,1-2H3
InChIKeyMLJXBPNBDRNHET-UHFFFAOYSA-N
XLogP4.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 155545404) is 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is Cc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1C.
What is the InChIKey of 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is MLJXBPNBDRNHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-5-3-8-17(14(13)2)18-12-23-19(10-22-20(23)11-21-18)15-6-4-7-16(24)9-15/h3-12,24H,1-2H3.
What are the key properties of 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 315.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 155545404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).