6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile

C102H77F15N26O — CID 159421496

IUPAC6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile
SMILESCC(C)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1.N#Cc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/2C21H18F3N5.C20H13F3N6O.C20H16F3N5.C20H12F3N5/c1-13(2)20-27-16-5-3-4-6-17(16)29(20)19-12-25-11-18(28-19)26-15-9-7-14(8-10-15)21(22,23)24;1-2-5-19-27-16-6-3-4-7-17(16)29(19)20-13-25-12-18(28-20)26-15-10-8-14(9-11-15)21(22,23)24;1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13;1-2-18-26-15-5-3-4-6-16(15)28(18)19-12-24-11-17(27-19)25-14-9-7-13(8-10-14)20(21,22)23;21-20(22,23)19-18(28-11-2-1-6-17(28)27-19)15-4-3-5-16(26-15)25-14-9-7-13(12-24)8-10-14/h3-13H,1-2H3,(H,26,28);3-4,6-13H,2,5H2,1H3,(H,26,28);2-7,9-11H,1H3,(H,26,27);3-12H,2H2,1H3,(H,25,27);1-11H,(H,25,26)
InChIKeyLPVBGAOTGSBKQM-UHFFFAOYSA-N
MW1967.89 g/mol
LogP25.84
Rot. Bonds20

About 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile

6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile (PubChem CID 159421496) has the molecular formula C102H77F15N26O and a molecular weight of 1967.89 g/mol. Its IUPAC name is 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile
PubChem CID159421496
Molecular FormulaC102H77F15N26O
Molecular Weight1967.89 g/mol
Exact Mass1966.65
IUPAC Name6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile
SMILESCC(C)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1.N#Cc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/2C21H18F3N5.C20H13F3N6O.C20H16F3N5.C20H12F3N5/c1-13(2)20-27-16-5-3-4-6-17(16)29(20)19-12-25-11-18(28-19)26-15-9-7-14(8-10-15)21(22,23)24;1-2-5-19-27-16-6-3-4-7-17(16)29(19)20-13-25-12-18(28-20)26-15-10-8-14(9-11-15)21(22,23)24;1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13;1-2-18-26-15-5-3-4-6-16(15)28(18)19-12-24-11-17(27-19)25-14-9-7-13(8-10-14)20(21,22)23;21-20(22,23)19-18(28-11-2-1-6-17(28)27-19)15-4-3-5-16(26-15)25-14-9-7-13(12-24)8-10-14/h3-13H,1-2H3,(H,26,28);3-4,6-13H,2,5H2,1H3,(H,26,28);2-7,9-11H,1H3,(H,26,27);3-12H,2H2,1H3,(H,25,27);1-11H,(H,25,26)
InChIKeyLPVBGAOTGSBKQM-UHFFFAOYSA-N
XLogP25.84
TPSA321.03 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001967.89
LogP ≤ 525.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile with MolForge

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Related Compounds

4-[8-(fluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-[[(1S)-1-(4-piperazin-1-ylphenyl)ethyl]amino]pyrimidine-5-carbonitrile
CID 68683969
4-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-[[(1S)-1-[4-[(1-methylpiperidin-4-yl)amino]phenyl]ethyl]amino]pyrimidine-5-carbonitrile
CID 68687635
2-(6-Methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 118094648
4-[[6-[6-Methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
CID 118101499
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
2-[6-(3-Cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424638
8-[[4-[2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-5-[4-[[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridin-8-yl]methyl]piperazin-1-yl]-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 156281497
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157128795
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157202692

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile (CID 159421496) is 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile is CC(C)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1.N#Cc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile?
The InChIKey is LPVBGAOTGSBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18F3N5.C20H13F3N6O.C20H16F3N5.C20H12F3N5/c1-13(2)20-27-16-5-3-4-6-17(16)29(20)19-12-25-11-18(28-19)26-15-9-7-14(8-10-15)21(22,23)24;1-2-5-19-27-16-6-3-4-7-17(16)29(19)20-13-25-12-18(28-20)26-15-10-8-14(9-11-15)21(22,23)24;1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13;1-2-18-26-15-5-3-4-6-16(15)28(18)19-12-24-11-17(27-19)25-14-9-7-13(8-10-14)20(21,22)23;21-20(22,23)19-18(28-11-2-1-6-17(28)27-19)15-4-3-5-16(26-15)25-14-9-7-13(12-24)8-10-14/h3-13H,1-2H3,(H,26,28);3-4,6-13H,2,5H2,1H3,(H,26,28);2-7,9-11H,1H3,(H,26,27);3-12H,2H2,1H3,(H,25,27);1-11H,(H,25,26).
What are the key properties of 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile?
6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile has a molecular weight of 1967.89 g/mol, XLogP of 25.84, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile;6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-propylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 159421496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).