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

C76H65ClN20O11S4 — CID 160604483

IUPAC3-(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
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
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S/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/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)
InChIKeyRERVNKRINCMFOH-UHFFFAOYSA-N
MW1598.21 g/mol
LogP11.45
Rot. Bonds14

About 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

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 (PubChem CID 160604483) has the molecular formula C76H65ClN20O11S4 and a molecular weight of 1598.21 g/mol. Its IUPAC name is 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 Properties

Compound Name3-(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
PubChem CID160604483
Molecular FormulaC76H65ClN20O11S4
Molecular Weight1598.21 g/mol
Exact Mass1596.37
IUPAC Name3-(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
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
InChIInChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S/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/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)
InChIKeyRERVNKRINCMFOH-UHFFFAOYSA-N
XLogP11.45
TPSA494.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001598.21
LogP ≤ 511.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 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 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
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
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-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-fluorophenyl)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(6-fluoro-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167572498

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.
What is the InChIKey of 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?
The InChIKey is RERVNKRINCMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S.C19H17N5O3S.C19H17N5O2S.C18H14ClN5O2S/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/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).
What are the key properties of 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?
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 has a molecular weight of 1598.21 g/mol, XLogP of 11.45, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).