2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol

C18H13BrN4O — CID 135579415

IUPAC2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccccc1
InChIInChI=1S/C18H13BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h1-11,21,24H
InChIKeyYQIHZYJICWDGLU-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.61
Rot. Bonds3

About 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol

2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol (PubChem CID 135579415) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol.

Molecular Properties

Compound Name2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol
PubChem CID135579415
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccccc1
InChIInChI=1S/C18H13BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h1-11,21,24H
InChIKeyYQIHZYJICWDGLU-UHFFFAOYSA-N
XLogP4.61
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol?
The IUPAC name of 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol (CID 135579415) is 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol.
What is the SMILES notation for 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol?
The canonical SMILES for 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol is Oc1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccccc1.
What is the InChIKey of 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol?
The InChIKey is YQIHZYJICWDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h1-11,21,24H.
What are the key properties of 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol?
2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol has a molecular weight of 381.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-4-bromophenol is sourced from PubChem (CID 135579415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).