sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide

C58H49N16NaO6 — CID 159352822

IUPACsodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide
SMILESCOC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(=O)O)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.[Na+].[OH-]
InChIInChI=1S/C20H17N5O2.C19H16N6O.C19H15N5O2.Na.H2O/c1-13-22-16-5-3-4-6-17(16)25(13)19-12-21-11-18(24-19)23-15-9-7-14(8-10-15)20(26)27-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26;1-12-21-15-4-2-3-5-16(15)24(12)18-11-20-10-17(23-18)22-14-8-6-13(7-9-14)19(25)26;;/h3-12H,1-2H3,(H,23,24);2-11H,1H3,(H2,20,26)(H,23,24);2-11H,1H3,(H,22,23)(H,25,26);;1H2/q;;;+1;/p-1
InChIKeyLHNVCPRWKGUFLZ-UHFFFAOYSA-M
MW1089.13 g/mol
LogP7.01
Rot. Bonds12

About sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide

sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide (PubChem CID 159352822) has the molecular formula C58H49N16NaO6 and a molecular weight of 1089.13 g/mol. Its IUPAC name is sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide.

Molecular Properties

Compound Namesodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide
PubChem CID159352822
Molecular FormulaC58H49N16NaO6
Molecular Weight1089.13 g/mol
Exact Mass1088.39
IUPAC Namesodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide
SMILESCOC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(=O)O)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.[Na+].[OH-]
InChIInChI=1S/C20H17N5O2.C19H16N6O.C19H15N5O2.Na.H2O/c1-13-22-16-5-3-4-6-17(16)25(13)19-12-21-11-18(24-19)23-15-9-7-14(8-10-15)20(26)27-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26;1-12-21-15-4-2-3-5-16(15)24(12)18-11-20-10-17(23-18)22-14-8-6-13(7-9-14)19(25)26;;/h3-12H,1-2H3,(H,23,24);2-11H,1H3,(H2,20,26)(H,23,24);2-11H,1H3,(H,22,23)(H,25,26);;1H2/q;;;+1;/p-1
InChIKeyLHNVCPRWKGUFLZ-UHFFFAOYSA-M
XLogP7.01
TPSA303.58 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.13
LogP ≤ 57.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide with MolForge

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Related Compounds

(3,5,6-trimethylpyrazin-2-yl)methyl 3-[[1-methyl-2-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630365
Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
1-{1-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-1H-pyrrole-2-carboxylic acid methyl ester
CID 44293816
methyl 1-[5-[3-[[2-[3-(dimethylamino)propyl]-3H-benzimidazole-5-carbonyl]amino]phenyl]-2-pyridinyl]-2-methylbenzimidazole-5-carboxylate
CID 137632770
methyl 2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]benzimidazole-5-carboxylate
CID 137636725
Methyl 4-[[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 172437111
4-((2-(4-(2-((4-(5-((lambda2-Azaneylidene)-lambda3-methyl)pyridin-2-yl)phenyl)methoxy)ethyl)phenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 175664951
4-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzamido)-3-fluorobenzoic acid
CID 176268133
4-(5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)picolinamido)-3-fluorobenzoic acid
CID 176268168
4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid
CID 167713212
Methyl 2-[3-(cyclohexylamino)-2-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-1-(3-methoxypropyl)benzimidazole-5-carboxylate
CID 71664871
methyl 4-(2-(2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)acetamido)benzoate
CID 30867689

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide?
The IUPAC name of sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide (CID 159352822) is sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide.
What is the SMILES notation for sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide?
The canonical SMILES for sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide is COC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(=O)O)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.[Na+].[OH-].
What is the InChIKey of sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide?
The InChIKey is LHNVCPRWKGUFLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17N5O2.C19H16N6O.C19H15N5O2.Na.H2O/c1-13-22-16-5-3-4-6-17(16)25(13)19-12-21-11-18(24-19)23-15-9-7-14(8-10-15)20(26)27-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26;1-12-21-15-4-2-3-5-16(15)24(12)18-11-20-10-17(23-18)22-14-8-6-13(7-9-14)19(25)26;;/h3-12H,1-2H3,(H,23,24);2-11H,1H3,(H2,20,26)(H,23,24);2-11H,1H3,(H,22,23)(H,25,26);;1H2/q;;;+1;/p-1.
What are the key properties of sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide?
sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide has a molecular weight of 1089.13 g/mol, XLogP of 7.01, 12 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate;hydroxide is sourced from PubChem (CID 159352822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).