8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine

C100H82Cl3N25O2 — CID 161068160

IUPAC8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine
SMILESCN(C)c1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.CNc1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.Clc1cccc(Nc2c(-c3ccccc3)nc3c(NCc4ccccc4)nccn23)c1.Nc1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1.O=[N+]([O-])c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1
InChIInChI=1S/C25H20ClN5.C20H18ClN5.C19H16ClN5.C18H13N5O2.C18H15N5/c26-20-12-7-13-21(16-20)29-24-22(19-10-5-2-6-11-19)30-25-23(27-14-15-31(24)25)28-17-18-8-3-1-4-9-18;1-25(2)19-20-24-17(14-7-4-3-5-8-14)18(26(20)12-11-22-19)23-16-10-6-9-15(21)13-16;1-21-17-19-24-16(13-6-3-2-4-7-13)18(25(19)11-10-22-17)23-15-9-5-8-14(20)12-15;24-23(25)15-8-6-14(7-9-15)20-18-17(13-4-2-1-3-5-13)21-16-12-19-10-11-22(16)18;19-14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-16,29H,17H2,(H,27,28);3-13,23H,1-2H3;2-12,23H,1H3,(H,21,22);1-12,20H;1-12,21H,19H2
InChIKeyUEHPIRJPPUEKFK-UHFFFAOYSA-N
MW1772.29 g/mol
LogP23.87
Rot. Bonds21

About 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine

8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine (PubChem CID 161068160) has the molecular formula C100H82Cl3N25O2 and a molecular weight of 1772.29 g/mol. Its IUPAC name is 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine
PubChem CID161068160
Molecular FormulaC100H82Cl3N25O2
Molecular Weight1772.29 g/mol
Exact Mass1769.61
IUPAC Name8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine
SMILESCN(C)c1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.CNc1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.Clc1cccc(Nc2c(-c3ccccc3)nc3c(NCc4ccccc4)nccn23)c1.Nc1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1.O=[N+]([O-])c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1
InChIInChI=1S/C25H20ClN5.C20H18ClN5.C19H16ClN5.C18H13N5O2.C18H15N5/c26-20-12-7-13-21(16-20)29-24-22(19-10-5-2-6-11-19)30-25-23(27-14-15-31(24)25)28-17-18-8-3-1-4-9-18;1-25(2)19-20-24-17(14-7-4-3-5-8-14)18(26(20)12-11-22-19)23-16-10-6-9-15(21)13-16;1-21-17-19-24-16(13-6-3-2-4-7-13)18(25(19)11-10-22-17)23-15-9-5-8-14(20)12-15;24-23(25)15-8-6-14(7-9-15)20-18-17(13-4-2-1-3-5-13)21-16-12-19-10-11-22(16)18;19-14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-16,29H,17H2,(H,27,28);3-13,23H,1-2H3;2-12,23H,1H3,(H,21,22);1-12,20H;1-12,21H,19H2
InChIKeyUEHPIRJPPUEKFK-UHFFFAOYSA-N
XLogP23.87
TPSA307.56 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.29
LogP ≤ 523.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine?
The IUPAC name of 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine (CID 161068160) is 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine?
The canonical SMILES for 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine is CN(C)c1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.CNc1nccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3)nc12.Clc1cccc(Nc2c(-c3ccccc3)nc3c(NCc4ccccc4)nccn23)c1.Nc1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1.O=[N+]([O-])c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1.
What is the InChIKey of 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine?
The InChIKey is UEHPIRJPPUEKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5.C20H18ClN5.C19H16ClN5.C18H13N5O2.C18H15N5/c26-20-12-7-13-21(16-20)29-24-22(19-10-5-2-6-11-19)30-25-23(27-14-15-31(24)25)28-17-18-8-3-1-4-9-18;1-25(2)19-20-24-17(14-7-4-3-5-8-14)18(26(20)12-11-22-19)23-16-10-6-9-15(21)13-16;1-21-17-19-24-16(13-6-3-2-4-7-13)18(25(19)11-10-22-17)23-15-9-5-8-14(20)12-15;24-23(25)15-8-6-14(7-9-15)20-18-17(13-4-2-1-3-5-13)21-16-12-19-10-11-22(16)18;19-14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-16,29H,17H2,(H,27,28);3-13,23H,1-2H3;2-12,23H,1H3,(H,21,22);1-12,20H;1-12,21H,19H2.
What are the key properties of 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine?
8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine has a molecular weight of 1772.29 g/mol, XLogP of 23.87, 21 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 161068160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).