8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine

C40H44Cl4N6O — CID 91431010

IUPAC8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine
SMILESCCCC(CCOCCC(CCC)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C40H44Cl4N6O/c1-5-9-25(37-33(7-3)47-39-35(45-17-19-49(37)39)29-13-11-27(41)23-31(29)43)15-21-51-22-16-26(10-6-2)38-34(8-4)48-40-36(46-18-20-50(38)40)30-14-12-28(42)24-32(30)44/h11-14,17-20,23-26H,5-10,15-16,21-22H2,1-4H3
InChIKeyHYMBKCFYFRLSON-UHFFFAOYSA-N
MW766.65 g/mol
LogP12.11
Rot. Bonds16

About 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine

8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine (PubChem CID 91431010) has the molecular formula C40H44Cl4N6O and a molecular weight of 766.65 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine
PubChem CID91431010
Molecular FormulaC40H44Cl4N6O
Molecular Weight766.65 g/mol
Exact Mass764.23
IUPAC Name8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine
SMILESCCCC(CCOCCC(CCC)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C40H44Cl4N6O/c1-5-9-25(37-33(7-3)47-39-35(45-17-19-49(37)39)29-13-11-27(41)23-31(29)43)15-21-51-22-16-26(10-6-2)38-34(8-4)48-40-36(46-18-20-50(38)40)30-14-12-28(42)24-32(30)44/h11-14,17-20,23-26H,5-10,15-16,21-22H2,1-4H3
InChIKeyHYMBKCFYFRLSON-UHFFFAOYSA-N
XLogP12.11
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.65
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(1-Cyclopropyl-3-methoxypropyl)-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458795
3-(1-Cyclobutyl-3-methoxypropyl)-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458858
2-(2,4-Dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183057
3-[1-[[4-Chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255076
4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
CID 121309637
4-[[6-(2-Chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309670
4-[[2-(2,4-Dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309712
4-[[2-(4-Chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
CID 121309760
4-[[2-(4-Chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
CID 121309761
[4-[[6-Cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 121309843
1-[4-[[2-(2,4-Dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
CID 121309902
4-[[2-(2,4-Dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
CID 121309910

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine (CID 91431010) is 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine is CCCC(CCOCCC(CCC)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine?
The InChIKey is HYMBKCFYFRLSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44Cl4N6O/c1-5-9-25(37-33(7-3)47-39-35(45-17-19-49(37)39)29-13-11-27(41)23-31(29)43)15-21-51-22-16-26(10-6-2)38-34(8-4)48-40-36(46-18-20-50(38)40)30-14-12-28(42)24-32(30)44/h11-14,17-20,23-26H,5-10,15-16,21-22H2,1-4H3.
What are the key properties of 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine?
8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine has a molecular weight of 766.65 g/mol, XLogP of 12.11, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 91431010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).