7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H19N3O2S — CID 86774820

IUPAC7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCCN1CCn2ccnc2C1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c19-21(20,14-5-2-1-3-6-14)12-4-8-17-10-11-18-9-7-16-15(18)13-17/h1-3,5-7,9H,4,8,10-13H2
InChIKeyBFRHXWGEARDNDQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.56
Rot. Bonds5

About 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 86774820) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID86774820
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCCN1CCn2ccnc2C1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c19-21(20,14-5-2-1-3-6-14)12-4-8-17-10-11-18-9-7-16-15(18)13-17/h1-3,5-7,9H,4,8,10-13H2
InChIKeyBFRHXWGEARDNDQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 86774820) is 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(CCCN1CCn2ccnc2C1)c1ccccc1.
What is the InChIKey of 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BFRHXWGEARDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-21(20,14-5-2-1-3-6-14)12-4-8-17-10-11-18-9-7-16-15(18)13-17/h1-3,5-7,9H,4,8,10-13H2.
What are the key properties of 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 305.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 86774820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).