4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride

C92H79Cl2N9O10 — CID 159132068

About 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride

4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride (PubChem CID 159132068) has the molecular formula C92H79Cl2N9O10 and a molecular weight of 1541.60 g/mol. Its IUPAC name is 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride.

Molecular Properties

• Compound Name: 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride
• PubChem CID: 159132068
• Molecular Formula: C92H79Cl2N9O10
• Molecular Weight: 1541.60 g/mol
• Exact Mass: 1539.53
• IUPAC Name: 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride
• SMILES: Cl.Cl.Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.O=CC(=O)Cc1ccc(OCc2ccccc2)cc1.Oc1ccc(-c2cn3c(O)c(Cc4ccc(OCc5ccccc5)cc4)nc3c(Cc3ccccc3)n2)cc1.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C33H27N3O3.C26H21N3O3.C17H15N3O.C16H14O3.2ClH/c37-27-15-13-26(14-16-27)31-21-36-32(29(34-31)19-23-7-3-1-4-8-23)35-30(33(36)38)20-24-11-17-28(18-12-24)39-22-25-9-5-2-6-10-25;30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13;17-11-15(18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14;;/h1-18,21,37-38H,19-20,22H2;1-13,16,30-32H,14-15H2;1-9,11,21H,10H2,(H2,18,19);1-9,11H,10,12H2;2*1H
• InChIKey: DOKNIMWDHSXDSD-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 286.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1541.60
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride?

The IUPAC name of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride (CID 159132068) is 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride.

What is the SMILES notation for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride?

The canonical SMILES for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride is Cl.Cl.Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.O=CC(=O)Cc1ccc(OCc2ccccc2)cc1.Oc1ccc(-c2cn3c(O)c(Cc4ccc(OCc5ccccc5)cc4)nc3c(Cc3ccccc3)n2)cc1.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

What is the InChIKey of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride?

The InChIKey is DOKNIMWDHSXDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O3.C26H21N3O3.C17H15N3O.C16H14O3.2ClH/c37-27-15-13-26(14-16-27)31-21-36-32(29(34-31)19-23-7-3-1-4-8-23)35-30(33(36)38)20-24-11-17-28(18-12-24)39-22-25-9-5-2-6-10-25;30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13;17-11-15(18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14;;/h1-18,21,37-38H,19-20,22H2;1-13,16,30-32H,14-15H2;1-9,11,21H,10H2,(H2,18,19);1-9,11H,10,12H2;2*1H.

What are the key properties of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride?

4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride has a molecular weight of 1541.60 g/mol, XLogP of 17.70, 22 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride is sourced from PubChem (CID 159132068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).