2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine

C95H97N21O — CID 158079716

IUPAC2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine
SMILESCc1cc(C)nc(CCc2nc3c4ccccc4ccc3n2C)n1.Cc1cnc(C)c(CCc2nc(-c3ccccc3)cn2C)n1.Cc1ncc(CCc2nc(-c3cccnc3)cn2C)nc1C.Cn1cc(-c2ccccc2)nc1CCc1cccc(-c2ccncc2)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1
InChIInChI=1S/C22H20N4.C20H20N4.C18H18N4O.C18H20N4.C17H19N5/c1-26-16-21(17-6-3-2-4-7-17)25-22(26)11-10-19-8-5-9-20(24-19)18-12-14-23-15-13-18;1-13-12-14(2)22-18(21-13)10-11-19-23-20-16-7-5-4-6-15(16)8-9-17(20)24(19)3;1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;1-13-11-19-14(2)16(20-13)9-10-18-21-17(12-22(18)3)15-7-5-4-6-8-15;1-12-13(2)20-15(10-19-12)6-7-17-21-16(11-22(17)3)14-5-4-8-18-9-14/h2-9,12-16H,10-11H2,1H3;4-9,12H,10-11H2,1-3H3;2-9,12H,10-11H2,1H3,(H2,19,23);4-8,11-12H,9-10H2,1-3H3;4-5,8-11H,6-7H2,1-3H3
InChIKeyFMUNINPQGGGQEK-UHFFFAOYSA-N
MW1548.97 g/mol
LogP16.57
Rot. Bonds21

About 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine

2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine (PubChem CID 158079716) has the molecular formula C95H97N21O and a molecular weight of 1548.97 g/mol. Its IUPAC name is 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine
PubChem CID158079716
Molecular FormulaC95H97N21O
Molecular Weight1548.97 g/mol
Exact Mass1547.82
IUPAC Name2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine
SMILESCc1cc(C)nc(CCc2nc3c4ccccc4ccc3n2C)n1.Cc1cnc(C)c(CCc2nc(-c3ccccc3)cn2C)n1.Cc1ncc(CCc2nc(-c3cccnc3)cn2C)nc1C.Cn1cc(-c2ccccc2)nc1CCc1cccc(-c2ccncc2)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1
InChIInChI=1S/C22H20N4.C20H20N4.C18H18N4O.C18H20N4.C17H19N5/c1-26-16-21(17-6-3-2-4-7-17)25-22(26)11-10-19-8-5-9-20(24-19)18-12-14-23-15-13-18;1-13-12-14(2)22-18(21-13)10-11-19-23-20-16-7-5-4-6-15(16)8-9-17(20)24(19)3;1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;1-13-11-19-14(2)16(20-13)9-10-18-21-17(12-22(18)3)15-7-5-4-6-8-15;1-12-13(2)20-15(10-19-12)6-7-17-21-16(11-22(17)3)14-5-4-8-18-9-14/h2-9,12-16H,10-11H2,1H3;4-9,12H,10-11H2,1-3H3;2-9,12H,10-11H2,1H3,(H2,19,23);4-8,11-12H,9-10H2,1-3H3;4-5,8-11H,6-7H2,1-3H3
InChIKeyFMUNINPQGGGQEK-UHFFFAOYSA-N
XLogP16.57
TPSA261.09 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001548.97
LogP ≤ 516.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine?
The IUPAC name of 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine (CID 158079716) is 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine.
What is the SMILES notation for 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine?
The canonical SMILES for 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine is Cc1cc(C)nc(CCc2nc3c4ccccc4ccc3n2C)n1.Cc1cnc(C)c(CCc2nc(-c3ccccc3)cn2C)n1.Cc1ncc(CCc2nc(-c3cccnc3)cn2C)nc1C.Cn1cc(-c2ccccc2)nc1CCc1cccc(-c2ccncc2)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1.
What is the InChIKey of 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine?
The InChIKey is FMUNINPQGGGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.C20H20N4.C18H18N4O.C18H20N4.C17H19N5/c1-26-16-21(17-6-3-2-4-7-17)25-22(26)11-10-19-8-5-9-20(24-19)18-12-14-23-15-13-18;1-13-12-14(2)22-18(21-13)10-11-19-23-20-16-7-5-4-6-15(16)8-9-17(20)24(19)3;1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;1-13-11-19-14(2)16(20-13)9-10-18-21-17(12-22(18)3)15-7-5-4-6-8-15;1-12-13(2)20-15(10-19-12)6-7-17-21-16(11-22(17)3)14-5-4-8-18-9-14/h2-9,12-16H,10-11H2,1H3;4-9,12H,10-11H2,1-3H3;2-9,12H,10-11H2,1H3,(H2,19,23);4-8,11-12H,9-10H2,1-3H3;4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine?
2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine has a molecular weight of 1548.97 g/mol, XLogP of 16.57, 21 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine;2,3-dimethyl-5-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazine;2-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine is sourced from PubChem (CID 158079716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).