8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C22H17N5OS — CID 137230845

IUPAC8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2cnns2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C22H17N5OS/c28-22-19(12-17-13-23-26-29-17)25-21-18(11-15-7-3-1-4-8-15)24-20(14-27(21)22)16-9-5-2-6-10-16/h1-10,13-14,28H,11-12H2
InChIKeyNHZYZFKRFAAOJS-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.14
Rot. Bonds5

About 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 137230845) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID137230845
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2cnns2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C22H17N5OS/c28-22-19(12-17-13-23-26-29-17)25-21-18(11-15-7-3-1-4-8-15)24-20(14-27(21)22)16-9-5-2-6-10-16/h1-10,13-14,28H,11-12H2
InChIKeyNHZYZFKRFAAOJS-UHFFFAOYSA-N
XLogP4.14
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-6-phenyl-2-[(5-thiophen-2-ylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 137230826
8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230838
8-benzyl-2-[[5-(methoxymethyl)furan-2-yl]methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230886
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
6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 163908697
2-benzyl-6-phenyl-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
CID 136717674
8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230813
8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135967648
8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136859305
6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
CID 146226121

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 137230845) is 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2cnns2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.
What is the InChIKey of 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is NHZYZFKRFAAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c28-22-19(12-17-13-23-26-29-17)25-21-18(11-15-7-3-1-4-8-15)24-20(14-27(21)22)16-9-5-2-6-10-16/h1-10,13-14,28H,11-12H2.
What are the key properties of 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 399.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137230845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).