3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen

C97H106N32O8 — CID 159913457

IUPAC3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
SMILESCC(C)Oc1cnc(N)c(-c2nc3ccccc3[nH]2)n1.COc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.N#Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Nc1ncc(OCCO)nc1-c1nc2ccccc2[nH]1.Nc1ncc(Oc2cccnc2)nc1-c1nc2ccccc2[nH]1.[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/C18H12N6O.C18H15N5O2.C18H15N5O.C16H12N6O.C14H15N5O.C13H13N5O2.12H2/c19-9-11-4-3-5-12(8-11)25-15-10-21-17(20)16(24-15)18-22-13-6-1-2-7-14(13)23-18;1-24-11-5-4-6-12(9-11)25-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;1-11-5-4-6-12(9-11)24-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;17-15-14(16-20-11-5-1-2-6-12(11)21-16)22-13(9-19-15)23-10-4-3-7-18-8-10;1-8(2)20-11-7-16-13(15)12(19-11)14-17-9-5-3-4-6-10(9)18-14;14-12-11(18-10(7-15-12)20-6-5-19)13-16-8-3-1-2-4-9(8)17-13;;;;;;;;;;;;/h1-8,10H,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-10H,1H3,(H2,19,20)(H,21,22);1-9H,(H2,17,19)(H,20,21);3-8H,1-2H3,(H2,15,16)(H,17,18);1-4,7,19H,5-6H2,(H2,14,15)(H,16,17);12*1H
InChIKeyNXLYPQIBJKINKG-UHFFFAOYSA-N
MW1848.13 g/mol
LogP19.48
Rot. Bonds20

About 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen

3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen (PubChem CID 159913457) has the molecular formula C97H106N32O8 and a molecular weight of 1848.13 g/mol. Its IUPAC name is 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
PubChem CID159913457
Molecular FormulaC97H106N32O8
Molecular Weight1848.13 g/mol
Exact Mass1846.89
IUPAC Name3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen
SMILESCC(C)Oc1cnc(N)c(-c2nc3ccccc3[nH]2)n1.COc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.N#Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Nc1ncc(OCCO)nc1-c1nc2ccccc2[nH]1.Nc1ncc(Oc2cccnc2)nc1-c1nc2ccccc2[nH]1.[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/C18H12N6O.C18H15N5O2.C18H15N5O.C16H12N6O.C14H15N5O.C13H13N5O2.12H2/c19-9-11-4-3-5-12(8-11)25-15-10-21-17(20)16(24-15)18-22-13-6-1-2-7-14(13)23-18;1-24-11-5-4-6-12(9-11)25-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;1-11-5-4-6-12(9-11)24-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;17-15-14(16-20-11-5-1-2-6-12(11)21-16)22-13(9-19-15)23-10-4-3-7-18-8-10;1-8(2)20-11-7-16-13(15)12(19-11)14-17-9-5-3-4-6-10(9)18-14;14-12-11(18-10(7-15-12)20-6-5-19)13-16-8-3-1-2-4-9(8)17-13;;;;;;;;;;;;/h1-8,10H,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-10H,1H3,(H2,19,20)(H,21,22);1-9H,(H2,17,19)(H,20,21);3-8H,1-2H3,(H2,15,16)(H,17,18);1-4,7,19H,5-6H2,(H2,14,15)(H,16,17);12*1H
InChIKeyNXLYPQIBJKINKG-UHFFFAOYSA-N
XLogP19.48
TPSA604.40 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.13
LogP ≤ 519.48
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(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-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen (CID 159913457) is 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen is CC(C)Oc1cnc(N)c(-c2nc3ccccc3[nH]2)n1.COc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.N#Cc1cccc(Oc2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Nc1ncc(OCCO)nc1-c1nc2ccccc2[nH]1.Nc1ncc(Oc2cccnc2)nc1-c1nc2ccccc2[nH]1.[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-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
The InChIKey is NXLYPQIBJKINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O.C18H15N5O2.C18H15N5O.C16H12N6O.C14H15N5O.C13H13N5O2.12H2/c19-9-11-4-3-5-12(8-11)25-15-10-21-17(20)16(24-15)18-22-13-6-1-2-7-14(13)23-18;1-24-11-5-4-6-12(9-11)25-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;1-11-5-4-6-12(9-11)24-15-10-20-17(19)16(23-15)18-21-13-7-2-3-8-14(13)22-18;17-15-14(16-20-11-5-1-2-6-12(11)21-16)22-13(9-19-15)23-10-4-3-7-18-8-10;1-8(2)20-11-7-16-13(15)12(19-11)14-17-9-5-3-4-6-10(9)18-14;14-12-11(18-10(7-15-12)20-6-5-19)13-16-8-3-1-2-4-9(8)17-13;;;;;;;;;;;;/h1-8,10H,(H2,20,21)(H,22,23);2-10H,1H3,(H2,19,20)(H,21,22);2-10H,1H3,(H2,19,20)(H,21,22);1-9H,(H2,17,19)(H,20,21);3-8H,1-2H3,(H2,15,16)(H,17,18);1-4,7,19H,5-6H2,(H2,14,15)(H,16,17);12*1H.
What are the key properties of 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen?
3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen has a molecular weight of 1848.13 g/mol, XLogP of 19.48, 20 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxybenzonitrile;2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxyethanol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(3-methylphenoxy)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-propan-2-yloxypyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-yloxypyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 159913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).