8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one

C52H43N5O6 — CID 158641423

IUPAC8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H21N3O3.C26H22N2O3/c30-20-10-6-18(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;29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20/h1-13,16,30-32H,14-15H2;1-13,17,29-30H,14-16H2
InChIKeyCAMYYKFUKFSZLR-UHFFFAOYSA-N
MW833.95 g/mol
LogP9.19
Rot. Bonds12

About 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one

8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one (PubChem CID 158641423) has the molecular formula C52H43N5O6 and a molecular weight of 833.95 g/mol. Its IUPAC name is 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
PubChem CID158641423
Molecular FormulaC52H43N5O6
Molecular Weight833.95 g/mol
Exact Mass833.32
IUPAC Name8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H21N3O3.C26H22N2O3/c30-20-10-6-18(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;29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20/h1-13,16,30-32H,14-15H2;1-13,17,29-30H,14-16H2
InChIKeyCAMYYKFUKFSZLR-UHFFFAOYSA-N
XLogP9.19
TPSA174.19 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.95
LogP ≤ 59.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one (CID 158641423) is 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one is O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The InChIKey is CAMYYKFUKFSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.C26H22N2O3/c30-20-10-6-18(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;29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20/h1-13,16,30-32H,14-15H2;1-13,17,29-30H,14-16H2.
What are the key properties of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one has a molecular weight of 833.95 g/mol, XLogP of 9.19, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 158641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).