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

C94H97N25O12S4 — CID 157359260

IUPAC2-(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
SMILESCOC(=O)c1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.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]
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.2C19H17N5O2S.C17H13N5O.8H2/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;2*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;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);2*3-10H,1-2H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);8*1H
InChIKeyBILFCKPVDRHNLS-UHFFFAOYSA-N
MW1897.24 g/mol
LogP16.05
Rot. Bonds16

About 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

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 (PubChem CID 157359260) has the molecular formula C94H97N25O12S4 and a molecular weight of 1897.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157359260
Molecular FormulaC94H97N25O12S4
Molecular Weight1897.24 g/mol
Exact Mass1895.66
IUPAC Name2-(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
SMILESCOC(=O)c1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.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]
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.2C19H17N5O2S.C17H13N5O.8H2/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;2*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;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);2*3-10H,1-2H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);8*1H
InChIKeyBILFCKPVDRHNLS-UHFFFAOYSA-N
XLogP16.05
TPSA594.72 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.24
LogP ≤ 516.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(1H-imidazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(hydroxymethyl)anilino]-2-phenyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 173145609
[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxylic acid;1-[2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazol-5-yl]propan-1-one
CID 159452191
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
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
7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-pyridinyl]propan-2-ol;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid
CID 160767176
2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 161163420
N-(3-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 161824666
N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162003694
3-amino-N-(2-methoxy-5-methylphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 162143138
CID 167552215
CID 167552215
bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-hydroxy-2-pyridinyl)-6-methoxybenzimidazol-5-yl]propan-1-one;bis(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);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167564910
bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-hydroxy-2-pyridinyl)-6-methoxybenzimidazol-5-yl]propan-1-one;bis(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 167583080

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.Cc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.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].
What is the InChIKey of 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?
The InChIKey is BILFCKPVDRHNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S.C19H17N5O3S.2C19H17N5O2S.C17H13N5O.8H2/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;2*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;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);2*3-10H,1-2H3,(H2,20,21)(H,23,24);1-9,23H,(H2,18,19)(H,21,22);8*1H.
What are the key properties of 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?
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 has a molecular weight of 1897.24 g/mol, XLogP of 16.05, 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-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 is sourced from PubChem (CID 157359260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).