3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen

C113H133N33O8 — CID 160986325

IUPAC3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(OC4CCOC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(OCCN4CCCCC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(C#N)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(Oc5ccccc5)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccnc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H19N5O2.C19H14N6O.C19H24N6O.C18H15N5O.C17H14N6O.C16H17N5O2.15H2/c1-15-10-11-19-20(12-15)28-24(27-19)22-23(25)26-14-21(29-22)31-18-9-5-8-17(13-18)30-16-6-3-2-4-7-16;1-11-5-6-14-15(7-11)24-19(23-14)17-18(21)22-10-16(25-17)26-13-4-2-3-12(8-13)9-20;1-13-5-6-14-15(11-13)23-19(22-14)17-18(20)21-12-16(24-17)26-10-9-25-7-3-2-4-8-25;1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;1-10-4-5-12-13(7-10)22-17(21-12)15-16(18)20-9-14(23-15)24-11-3-2-6-19-8-11;1-9-2-3-11-12(6-9)20-16(19-11)14-15(17)18-7-13(21-14)23-10-4-5-22-8-10;;;;;;;;;;;;;;;/h2-14H,1H3,(H2,25,26)(H,27,28);2-8,10H,1H3,(H2,21,22)(H,23,24);5-6,11-12H,2-4,7-10H2,1H3,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-9H,1H3,(H2,18,20)(H,21,22);2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18)(H,19,20);15*1H
InChIKeyTUAHPSDULNZMJT-UHFFFAOYSA-N
MW2081.53 g/mol
LogP24.41
Rot. Bonds22

About 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen

3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen (PubChem CID 160986325) has the molecular formula C113H133N33O8 and a molecular weight of 2081.53 g/mol. Its IUPAC name is 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
PubChem CID160986325
Molecular FormulaC113H133N33O8
Molecular Weight2081.53 g/mol
Exact Mass2080.10
IUPAC Name3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(OC4CCOC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(OCCN4CCCCC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(C#N)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(Oc5ccccc5)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccnc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H19N5O2.C19H14N6O.C19H24N6O.C18H15N5O.C17H14N6O.C16H17N5O2.15H2/c1-15-10-11-19-20(12-15)28-24(27-19)22-23(25)26-14-21(29-22)31-18-9-5-8-17(13-18)30-16-6-3-2-4-7-16;1-11-5-6-14-15(7-11)24-19(23-14)17-18(21)22-10-16(25-17)26-13-4-2-3-12(8-13)9-20;1-13-5-6-14-15(11-13)23-19(22-14)17-18(20)21-12-16(24-17)26-10-9-25-7-3-2-4-8-25;1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;1-10-4-5-12-13(7-10)22-17(21-12)15-16(18)20-9-14(23-15)24-11-3-2-6-19-8-11;1-9-2-3-11-12(6-9)20-16(19-11)14-15(17)18-7-13(21-14)23-10-4-5-22-8-10;;;;;;;;;;;;;;;/h2-14H,1H3,(H2,25,26)(H,27,28);2-8,10H,1H3,(H2,21,22)(H,23,24);5-6,11-12H,2-4,7-10H2,1H3,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-9H,1H3,(H2,18,20)(H,21,22);2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18)(H,19,20);15*1H
InChIKeyTUAHPSDULNZMJT-UHFFFAOYSA-N
XLogP24.41
TPSA596.64 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.53
LogP ≤ 524.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen (CID 160986325) is 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen is Cc1ccc2nc(-c3nc(OC4CCOC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(OCCN4CCCCC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(C#N)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccc(Oc5ccccc5)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Oc4cccnc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The InChIKey is TUAHPSDULNZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2.C19H14N6O.C19H24N6O.C18H15N5O.C17H14N6O.C16H17N5O2.15H2/c1-15-10-11-19-20(12-15)28-24(27-19)22-23(25)26-14-21(29-22)31-18-9-5-8-17(13-18)30-16-6-3-2-4-7-16;1-11-5-6-14-15(7-11)24-19(23-14)17-18(21)22-10-16(25-17)26-13-4-2-3-12(8-13)9-20;1-13-5-6-14-15(11-13)23-19(22-14)17-18(20)21-12-16(24-17)26-10-9-25-7-3-2-4-8-25;1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;1-10-4-5-12-13(7-10)22-17(21-12)15-16(18)20-9-14(23-15)24-11-3-2-6-19-8-11;1-9-2-3-11-12(6-9)20-16(19-11)14-15(17)18-7-13(21-14)23-10-4-5-22-8-10;;;;;;;;;;;;;;;/h2-14H,1H3,(H2,25,26)(H,27,28);2-8,10H,1H3,(H2,21,22)(H,23,24);5-6,11-12H,2-4,7-10H2,1H3,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-9H,1H3,(H2,18,20)(H,21,22);2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18)(H,19,20);15*1H.
What are the key properties of 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen has a molecular weight of 2081.53 g/mol, XLogP of 24.41, 22 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;3-(6-methyl-1H-benzimidazol-2-yl)-5-(oxolan-3-yloxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(3-phenoxyphenoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)pyrazin-2-amine;3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 160986325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).