3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H17N3O2S — CID 110117585

IUPAC3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1cnc2n1CC(c1ccccc1)N(S(C)(=O)=O)C2
InChIInChI=1S/C14H17N3O2S/c1-11-8-15-14-10-17(20(2,18)19)13(9-16(11)14)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3
InChIKeyKPMXCVFVIVGBIL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.71
Rot. Bonds2

About 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 110117585) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID110117585
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1cnc2n1CC(c1ccccc1)N(S(C)(=O)=O)C2
InChIInChI=1S/C14H17N3O2S/c1-11-8-15-14-10-17(20(2,18)19)13(9-16(11)14)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3
InChIKeyKPMXCVFVIVGBIL-UHFFFAOYSA-N
XLogP1.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 110117585) is 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cc1cnc2n1CC(c1ccccc1)N(S(C)(=O)=O)C2.
What is the InChIKey of 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is KPMXCVFVIVGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-8-15-14-10-17(20(2,18)19)13(9-16(11)14)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3.
What are the key properties of 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 291.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 110117585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).