3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

C16H12N4OS — CID 11702275

IUPAC3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccsc3)nc2n1Cc1ccccc1
InChIInChI=1S/C16H12N4OS/c21-16-19-14-15(20(16)9-11-4-2-1-3-5-11)18-13(8-17-14)12-6-7-22-10-12/h1-8,10H,9H2,(H,17,19,21)
InChIKeyIMUNVJYKDKQXBP-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.90
Rot. Bonds3

About 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 11702275) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID11702275
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccsc3)nc2n1Cc1ccccc1
InChIInChI=1S/C16H12N4OS/c21-16-19-14-15(20(16)9-11-4-2-1-3-5-11)18-13(8-17-14)12-6-7-22-10-12/h1-8,10H,9H2,(H,17,19,21)
InChIKeyIMUNVJYKDKQXBP-UHFFFAOYSA-N
XLogP2.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 11702275) is 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccsc3)nc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is IMUNVJYKDKQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-16-19-14-15(20(16)9-11-4-2-1-3-5-11)18-13(8-17-14)12-6-7-22-10-12/h1-8,10H,9H2,(H,17,19,21).
What are the key properties of 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 308.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 11702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).