8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine

C24H32Cl2N4 — CID 22024521

IUPAC8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine
SMILESCCCCCN(CCC(C)C)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C24H32Cl2N4/c1-5-7-8-13-29(14-11-17(3)4)24-21(6-2)28-23-22(27-12-15-30(23)24)19-10-9-18(25)16-20(19)26/h9-10,12,15-17H,5-8,11,13-14H2,1-4H3
InChIKeyIEIBDPJJTAJAOU-UHFFFAOYSA-N
MW447.45 g/mol
LogP7.31
Rot. Bonds10

About 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine

8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 22024521) has the molecular formula C24H32Cl2N4 and a molecular weight of 447.45 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine
PubChem CID22024521
Molecular FormulaC24H32Cl2N4
Molecular Weight447.45 g/mol
Exact Mass446.20
IUPAC Name8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine
SMILESCCCCCN(CCC(C)C)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C24H32Cl2N4/c1-5-7-8-13-29(14-11-17(3)4)24-21(6-2)28-23-22(27-12-15-30(23)24)19-10-9-18(25)16-20(19)26/h9-10,12,15-17H,5-8,11,13-14H2,1-4H3
InChIKeyIEIBDPJJTAJAOU-UHFFFAOYSA-N
XLogP7.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine (CID 22024521) is 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine is CCCCCN(CCC(C)C)c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is IEIBDPJJTAJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4/c1-5-7-8-13-29(14-11-17(3)4)24-21(6-2)28-23-22(27-12-15-30(23)24)19-10-9-18(25)16-20(19)26/h9-10,12,15-17H,5-8,11,13-14H2,1-4H3.
What are the key properties of 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine?
8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 447.45 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 22024521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).