8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol

C32H40N6O2 — CID 136870464

IUPAC8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCc1nc(-c2ccc(-c3cn4c(O)c(C)nc4c(CCCCCC)n3)cc2)cn2c(O)c(C)nc12
InChIInChI=1S/C32H40N6O2/c1-5-7-9-11-13-25-29-33-21(3)31(39)37(29)19-27(35-25)23-15-17-24(18-16-23)28-20-38-30(34-22(4)32(38)40)26(36-28)14-12-10-8-6-2/h15-20,39-40H,5-14H2,1-4H3
InChIKeyRHMIYCFAWDGFLK-UHFFFAOYSA-N
MW540.71 g/mol
LogP7.38
Rot. Bonds12

About 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol

8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 136870464) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol
PubChem CID136870464
Molecular FormulaC32H40N6O2
Molecular Weight540.71 g/mol
Exact Mass540.32
IUPAC Name8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCc1nc(-c2ccc(-c3cn4c(O)c(C)nc4c(CCCCCC)n3)cc2)cn2c(O)c(C)nc12
InChIInChI=1S/C32H40N6O2/c1-5-7-9-11-13-25-29-33-21(3)31(39)37(29)19-27(35-25)23-15-17-24(18-16-23)28-20-38-30(34-22(4)32(38)40)26(36-28)14-12-10-8-6-2/h15-20,39-40H,5-14H2,1-4H3
InChIKeyRHMIYCFAWDGFLK-UHFFFAOYSA-N
XLogP7.38
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-hydroxyphenyl)-3,6-di(icosyl)pyrazin-2-yl]phenol
CID 139631881
8-benzyl-2-butyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-(furan-2-ylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-propylimidazo[1,2-a]pyrazin-3-ol
CID 162020671
8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 177492667
8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135934880
2-hexyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209447
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 96668145
4-methyl-5-octyl-2H-triazole
CID 21337908
2-hexyl-3,6-dimethylpyridine
CID 23386704
2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
CID 57239148
2,3-dihexylbenzene-1,4-diol
CID 69329716

Frequently Asked Questions

What is the IUPAC name of 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol (CID 136870464) is 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol is CCCCCCc1nc(-c2ccc(-c3cn4c(O)c(C)nc4c(CCCCCC)n3)cc2)cn2c(O)c(C)nc12.
What is the InChIKey of 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is RHMIYCFAWDGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-5-7-9-11-13-25-29-33-21(3)31(39)37(29)19-27(35-25)23-15-17-24(18-16-23)28-20-38-30(34-22(4)32(38)40)26(36-28)14-12-10-8-6-2/h15-20,39-40H,5-14H2,1-4H3.
What are the key properties of 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol?
8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 540.71 g/mol, XLogP of 7.38, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136870464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).