(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine

C18H19N3 — CID 139054199

IUPAC(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine
SMILESc1ccc(C2=NCCN3CCN[C@]23c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)20-12-14-21(18)13-11-19-17/h1-10,20H,11-14H2/t18-/m0/s1
InChIKeyTUXWSDUVKDMPKB-SFHVURJKSA-N
MW277.37 g/mol
LogP2.25
Rot. Bonds2

About (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine

(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine (PubChem CID 139054199) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine
PubChem CID139054199
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine
SMILESc1ccc(C2=NCCN3CCN[C@]23c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)20-12-14-21(18)13-11-19-17/h1-10,20H,11-14H2/t18-/m0/s1
InChIKeyTUXWSDUVKDMPKB-SFHVURJKSA-N
XLogP2.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine (CID 139054199) is (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine is c1ccc(C2=NCCN3CCN[C@]23c2ccccc2)cc1.
What is the InChIKey of (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine?
The InChIKey is TUXWSDUVKDMPKB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)20-12-14-21(18)13-11-19-17/h1-10,20H,11-14H2/t18-/m0/s1.
What are the key properties of (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine?
(8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine has a molecular weight of 277.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8,8a-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139054199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).