(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C21H23N3 — CID 20756589

IUPAC(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCC1Cn2cc(-c3ccccc3)nc2[C@H](Cc2ccccc2)N1
InChIInChI=1S/C21H23N3/c1-2-18-14-24-15-20(17-11-7-4-8-12-17)23-21(24)19(22-18)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,2,13-14H2,1H3/t18?,19-/m0/s1
InChIKeyXSRRFJABDHXOCL-GGYWPGCISA-N
MW317.44 g/mol
LogP4.22
Rot. Bonds4

About (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 20756589) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID20756589
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCC1Cn2cc(-c3ccccc3)nc2[C@H](Cc2ccccc2)N1
InChIInChI=1S/C21H23N3/c1-2-18-14-24-15-20(17-11-7-4-8-12-17)23-21(24)19(22-18)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,2,13-14H2,1H3/t18?,19-/m0/s1
InChIKeyXSRRFJABDHXOCL-GGYWPGCISA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-2-benzyl-5-ethylpyrrolidine
CID 11267979
8-(cyclohexylmethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 71190625
6-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 83966117
3-ethyl-1-methyl-5-phenylpiperazine
CID 82396475
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
(9S)-9-(cyclohexylmethyl)-2-phenyl-5,6,8,9-tetrahydroimidazo[1,2-a][1,4]diazepin-7-one
CID 155524100
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
5-benzyl-3-cyclopropyl-2-ethylimidazolidin-4-one
CID 83242720
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761
6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 123550414

Frequently Asked Questions

What is the IUPAC name of (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 20756589) is (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is CCC1Cn2cc(-c3ccccc3)nc2[C@H](Cc2ccccc2)N1.
What is the InChIKey of (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is XSRRFJABDHXOCL-GGYWPGCISA-N. The full InChI is InChI=1S/C21H23N3/c1-2-18-14-24-15-20(17-11-7-4-8-12-17)23-21(24)19(22-18)13-16-9-5-3-6-10-16/h3-12,15,18-19,22H,2,13-14H2,1H3/t18?,19-/m0/s1.
What are the key properties of (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
(8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 317.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-benzyl-6-ethyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 20756589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).