2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C34H33N3OS — CID 22016807

IUPAC2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC2
InChIInChI=1S/C34H33N3OS/c1-38-32-20-12-11-19-29(32)31-25-37-23-22-35-30(33(37)36-31)21-24-39-34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,25,30,35H,21-24H2,1H3
InChIKeyZVRHOMPRVPCWKL-UHFFFAOYSA-N
MW531.73 g/mol
LogP7.32
Rot. Bonds9

About 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 22016807) has the molecular formula C34H33N3OS and a molecular weight of 531.73 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID22016807
Molecular FormulaC34H33N3OS
Molecular Weight531.73 g/mol
Exact Mass531.23
IUPAC Name2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC2
InChIInChI=1S/C34H33N3OS/c1-38-32-20-12-11-19-29(32)31-25-37-23-22-35-30(33(37)36-31)21-24-39-34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,25,30,35H,21-24H2,1H3
InChIKeyZVRHOMPRVPCWKL-UHFFFAOYSA-N
XLogP7.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.73
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

8-butan-2-yl-2-(2-methoxyphenyl)-7-[(1-tritylimidazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 22016812
(2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-tert-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-tert-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 12985902
2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 10175747
2-amino-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 10309291
(2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 11506076
2-amino-3-[[2-amino-3-[8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 10312793
(2R)-2-amino-1-[8-cyclohexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 11560683
(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one
CID 142877969
2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 10215991
3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one
CID 70205097
(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine
CID 142005822
8-(6-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 69095115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 22016807) is 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is COc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC2.
What is the InChIKey of 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is ZVRHOMPRVPCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3OS/c1-38-32-20-12-11-19-29(32)31-25-37-23-22-35-30(33(37)36-31)21-24-39-34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,25,30,35H,21-24H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 531.73 g/mol, XLogP of 7.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 22016807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).