2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

C93H96ClN25O12S4 — CID 159646971

IUPAC2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCOC(=O)c1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(Cl)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccccc2)nc1-c1nc2c(O)cccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S.C17H13N5O.9H2/c1-29-20(26)12-5-8-14-15(9-12)25-19(24-14)17-18(21)22-10-16(23-17)11-3-6-13(7-4-11)30(2,27)28;1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26;1-11-3-8-14-15(9-11)24-19(23-14)17-18(20)21-10-16(22-17)12-4-6-13(7-5-12)27(2,25)26;1-27(25,26)12-5-2-10(3-6-12)15-9-21-17(20)16(22-15)18-23-13-7-4-11(19)8-14(13)24-18;18-16-15(17-21-11-7-4-8-13(23)14(11)22-17)20-12(9-19-16)10-5-2-1-3-6-10;;;;;;;;;/h3-10H,1-2H3,(H2,21,22)(H,24,25);3-10H,1-2H3,(H2,20,21)(H,23,24);3-10H,1-2H3,(H2,20,21)(H,23,24);2-9H,1H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);9*1H
InChIKeyMRBRCYOJIZIQCT-UHFFFAOYSA-N
MW1919.67 g/mol
LogP16.64
Rot. Bonds16

About 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (PubChem CID 159646971) has the molecular formula C93H96ClN25O12S4 and a molecular weight of 1919.67 g/mol. Its IUPAC name is 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
PubChem CID159646971
Molecular FormulaC93H96ClN25O12S4
Molecular Weight1919.67 g/mol
Exact Mass1917.62
IUPAC Name2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCOC(=O)c1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(Cl)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccccc2)nc1-c1nc2c(O)cccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S.C17H13N5O.9H2/c1-29-20(26)12-5-8-14-15(9-12)25-19(24-14)17-18(21)22-10-16(23-17)11-3-6-13(7-4-11)30(2,27)28;1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26;1-11-3-8-14-15(9-11)24-19(23-14)17-18(20)21-10-16(22-17)12-4-6-13(7-5-12)27(2,25)26;1-27(25,26)12-5-2-10(3-6-12)15-9-21-17(20)16(22-15)18-23-13-7-4-11(19)8-14(13)24-18;18-16-15(17-21-11-7-4-8-13(23)14(11)22-17)20-12(9-19-16)10-5-2-1-3-6-10;;;;;;;;;/h3-10H,1-2H3,(H2,21,22)(H,24,25);3-10H,1-2H3,(H2,20,21)(H,23,24);3-10H,1-2H3,(H2,20,21)(H,23,24);2-9H,1H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);9*1H
InChIKeyMRBRCYOJIZIQCT-UHFFFAOYSA-N
XLogP16.64
TPSA594.72 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.67
LogP ≤ 516.64
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen with MolForge

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Related Compounds

2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;bis(3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine);molecular hydrogen
CID 157359260
1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 159018019
3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 160604483
2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);1-[2-(3-hydroxy-2-pyridinyl)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167639468

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The IUPAC name of 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (CID 159646971) is 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is COC(=O)c1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(Cl)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccccc2)nc1-c1nc2c(O)cccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The InChIKey is MRBRCYOJIZIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S.C17H13N5O.9H2/c1-29-20(26)12-5-8-14-15(9-12)25-19(24-14)17-18(21)22-10-16(23-17)11-3-6-13(7-4-11)30(2,27)28;1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26;1-11-3-8-14-15(9-11)24-19(23-14)17-18(20)21-10-16(22-17)12-4-6-13(7-5-12)27(2,25)26;1-27(25,26)12-5-2-10(3-6-12)15-9-21-17(20)16(22-15)18-23-13-7-4-11(19)8-14(13)24-18;18-16-15(17-21-11-7-4-8-13(23)14(11)22-17)20-12(9-19-16)10-5-2-1-3-6-10;;;;;;;;;/h3-10H,1-2H3,(H2,21,22)(H,24,25);3-10H,1-2H3,(H2,20,21)(H,23,24);3-10H,1-2H3,(H2,20,21)(H,23,24);2-9H,1H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);9*1H.
What are the key properties of 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen has a molecular weight of 1919.67 g/mol, XLogP of 16.64, 16 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;methyl 2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 159646971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).