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

C26H27N3O3 — CID 136879456

IUPAC8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(Cc2nc3c(CC4CCCCC4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H27N3O3/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/h6-13,16-17,30-32H,1-5,14-15H2
InChIKeyRRBNUHDODLPLPE-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.23
Rot. Bonds5

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

8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 136879456) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID136879456
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(Cc2nc3c(CC4CCCCC4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H27N3O3/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/h6-13,16-17,30-32H,1-5,14-15H2
InChIKeyRRBNUHDODLPLPE-UHFFFAOYSA-N
XLogP5.23
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 136879456) is 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(Cc2nc3c(CC4CCCCC4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is RRBNUHDODLPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/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/h6-13,16-17,30-32H,1-5,14-15H2.
What are the key properties of 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol?
8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 429.52 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136879456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).