6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

C26H22N4O2 — CID 163908697

IUPAC6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESNc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O2/c27-20-10-8-19(9-11-20)24-16-30-25(22(28-24)14-17-4-2-1-3-5-17)29-23(26(30)32)15-18-6-12-21(31)13-7-18/h1-13,16,31-32H,14-15,27H2
InChIKeyIXXISUNBFSBYGD-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.57
Rot. Bonds5

About 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 163908697) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID163908697
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESNc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O2/c27-20-10-8-19(9-11-20)24-16-30-25(22(28-24)14-17-4-2-1-3-5-17)29-23(26(30)32)15-18-6-12-21(31)13-7-18/h1-13,16,31-32H,14-15,27H2
InChIKeyIXXISUNBFSBYGD-UHFFFAOYSA-N
XLogP4.57
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135934880
8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136879455
8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135967648
6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
CID 146226121
8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136859305
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol
CID 135980278
8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 136879456
8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 170570292
8-benzyl-2-[[5-(methoxymethyl)furan-2-yl]methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230886
8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230838
8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137230845

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 163908697) is 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is Nc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is IXXISUNBFSBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-20-10-8-19(9-11-20)24-16-30-25(22(28-24)14-17-4-2-1-3-5-17)29-23(26(30)32)15-18-6-12-21(31)13-7-18/h1-13,16,31-32H,14-15,27H2.
What are the key properties of 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 422.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 163908697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).