7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H17N3O2S — CID 86774786

IUPAC7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCN1CCn2ccnc2C1)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-20(19,13-4-2-1-3-5-13)11-10-16-8-9-17-7-6-15-14(17)12-16/h1-7H,8-12H2
InChIKeyCFLIWKYNLNDKJI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.17
Rot. Bonds4

About 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 86774786) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID86774786
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCN1CCn2ccnc2C1)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-20(19,13-4-2-1-3-5-13)11-10-16-8-9-17-7-6-15-14(17)12-16/h1-7H,8-12H2
InChIKeyCFLIWKYNLNDKJI-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 86774786) is 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(CCN1CCn2ccnc2C1)c1ccccc1.
What is the InChIKey of 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is CFLIWKYNLNDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,13-4-2-1-3-5-13)11-10-16-8-9-17-7-6-15-14(17)12-16/h1-7H,8-12H2.
What are the key properties of 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 291.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(benzenesulfonyl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 86774786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).