ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid

C105H113ClF9N23O19S3 — CID 165006824

IUPACethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c(N)c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c([N+](=O)[O-])c1.CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1.CN1CCC(n2c(Nc3nc4ccc(OC(F)(F)F)cc4s3)nc3cc(C(=O)O)ccc32)C1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1
InChIInChI=1S/C24H25F3N6O3S.C23H22F3N5O3S.C21H18F3N5O3S.C14H19N3O4.C14H21N3O2.C9H8ClNO4/c1-32-9-7-15(13-32)33-19-6-3-14(21(34)28-8-10-35-2)11-18(19)29-22(33)31-23-30-17-5-4-16(12-20(17)37-23)36-24(25,26)27;1-3-33-20(32)13-4-7-18-17(10-13)27-21(31(18)14-8-9-30(2)12-14)29-22-28-16-6-5-15(11-19(16)35-22)34-23(24,25)26;1-28-7-6-12(10-28)29-16-5-2-11(18(30)31)8-15(16)25-19(29)27-20-26-14-4-3-13(9-17(14)33-20)32-21(22,23)24;1-3-21-14(18)10-4-5-12(13(8-10)17(19)20)15-11-6-7-16(2)9-11;1-3-19-14(18)10-4-5-13(12(15)8-10)16-11-6-7-17(2)9-11;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,28,34)(H,29,30,31);4-7,10-11,14H,3,8-9,12H2,1-2H3,(H,27,28,29);2-5,8-9,12H,6-7,10H2,1H3,(H,30,31)(H,25,26,27);4-5,8,11,15H,3,6-7,9H2,1-2H3;4-5,8,11,16H,3,6-7,9,15H2,1-2H3;3-5H,2H2,1H3
InChIKeyJBZNKCWKYPMGEV-UHFFFAOYSA-N
MW2303.84 g/mol
LogP20.62
Rot. Bonds31

About ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid

ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid (PubChem CID 165006824) has the molecular formula C105H113ClF9N23O19S3 and a molecular weight of 2303.84 g/mol. Its IUPAC name is ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Nameethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
PubChem CID165006824
Molecular FormulaC105H113ClF9N23O19S3
Molecular Weight2303.84 g/mol
Exact Mass2301.73
IUPAC Nameethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c(N)c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c([N+](=O)[O-])c1.CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1.CN1CCC(n2c(Nc3nc4ccc(OC(F)(F)F)cc4s3)nc3cc(C(=O)O)ccc32)C1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1
InChIInChI=1S/C24H25F3N6O3S.C23H22F3N5O3S.C21H18F3N5O3S.C14H19N3O4.C14H21N3O2.C9H8ClNO4/c1-32-9-7-15(13-32)33-19-6-3-14(21(34)28-8-10-35-2)11-18(19)29-22(33)31-23-30-17-5-4-16(12-20(17)37-23)36-24(25,26)27;1-3-33-20(32)13-4-7-18-17(10-13)27-21(31(18)14-8-9-30(2)12-14)29-22-28-16-6-5-15(11-19(16)35-22)34-23(24,25)26;1-28-7-6-12(10-28)29-16-5-2-11(18(30)31)8-15(16)25-19(29)27-20-26-14-4-3-13(9-17(14)33-20)32-21(22,23)24;1-3-21-14(18)10-4-5-12(13(8-10)17(19)20)15-11-6-7-16(2)9-11;1-3-19-14(18)10-4-5-13(12(15)8-10)16-11-6-7-17(2)9-11;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,28,34)(H,29,30,31);4-7,10-11,14H,3,8-9,12H2,1-2H3,(H,27,28,29);2-5,8-9,12H,6-7,10H2,1H3,(H,30,31)(H,25,26,27);4-5,8,11,15H,3,6-7,9H2,1-2H3;4-5,8,11,16H,3,6-7,9,15H2,1-2H3;3-5H,2H2,1H3
InChIKeyJBZNKCWKYPMGEV-UHFFFAOYSA-N
XLogP20.62
TPSA489.30 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.84
LogP ≤ 520.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid with MolForge

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Related Compounds

pentakis(carbon dioxide);1-chloro-4-ethyl-2-nitrobenzene;4-ethyl-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine;N-[5-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;N-(4-ethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine;N-[1-(1-methylpyrrolidin-3-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 157175223
1-(2-fluoroethyl)-N-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;methyl 4-(2-fluoroethylamino)-3-nitrobenzoate
CID 158878600
1-methyl-N-morpholin-4-yl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 159908432
pentakis(carbon dioxide);1-chloro-4-ethyl-2-nitrobenzene;N-(4-ethyl-2-nitrophenyl)oxan-4-amine;4-ethyl-1-N-(oxan-4-yl)benzene-1,2-diamine;N-[5-ethyl-1-(oxan-4-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;N-[1-(oxan-4-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
CID 160384593
1-(2-Methylpropyl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 160526204
N,3-dimethyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;3-(methylamino)-4-nitrobenzoic acid
CID 160890568
Methyl 4-chloro-3-nitrobenzoate;methyl 1-(2-methylpropyl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 161135586
Methyl 4-chloro-3-nitrobenzoate;methyl 1-propan-2-yl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 161412844
Methyl 4-chloro-3-nitrobenzoate;methyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 161540078
pentakis(carbon dioxide);1-chloro-4-ethyl-2-nitrobenzene;4-ethyl-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine;N-[5-ethyl-1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;N-(4-ethyl-2-nitrophenyl)-1-methylpiperidin-4-amine;N-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 162088347
1-(2-Methoxyethyl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid;methyl 4-(2-methoxyethylamino)-3-nitrobenzoate
CID 162189662
3-chloro-4-nitrobenzoic acid;N,3-dimethyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 162258362

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid?
The IUPAC name of ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid (CID 165006824) is ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid.
What is the SMILES notation for ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid?
The canonical SMILES for ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid is CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c(N)c1.CCOC(=O)c1ccc(NC2CCN(C)C2)c([N+](=O)[O-])c1.CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1.CN1CCC(n2c(Nc3nc4ccc(OC(F)(F)F)cc4s3)nc3cc(C(=O)O)ccc32)C1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C1CCN(C)C1.
What is the InChIKey of ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid?
The InChIKey is JBZNKCWKYPMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3S.C23H22F3N5O3S.C21H18F3N5O3S.C14H19N3O4.C14H21N3O2.C9H8ClNO4/c1-32-9-7-15(13-32)33-19-6-3-14(21(34)28-8-10-35-2)11-18(19)29-22(33)31-23-30-17-5-4-16(12-20(17)37-23)36-24(25,26)27;1-3-33-20(32)13-4-7-18-17(10-13)27-21(31(18)14-8-9-30(2)12-14)29-22-28-16-6-5-15(11-19(16)35-22)34-23(24,25)26;1-28-7-6-12(10-28)29-16-5-2-11(18(30)31)8-15(16)25-19(29)27-20-26-14-4-3-13(9-17(14)33-20)32-21(22,23)24;1-3-21-14(18)10-4-5-12(13(8-10)17(19)20)15-11-6-7-16(2)9-11;1-3-19-14(18)10-4-5-13(12(15)8-10)16-11-6-7-17(2)9-11;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,28,34)(H,29,30,31);4-7,10-11,14H,3,8-9,12H2,1-2H3,(H,27,28,29);2-5,8-9,12H,6-7,10H2,1H3,(H,30,31)(H,25,26,27);4-5,8,11,15H,3,6-7,9H2,1-2H3;4-5,8,11,16H,3,6-7,9,15H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid?
ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid has a molecular weight of 2303.84 g/mol, XLogP of 20.62, 31 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-[(1-methylpyrrolidin-3-yl)amino]benzoate;ethyl 4-chloro-3-nitrobenzoate;ethyl 4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzoate;ethyl 1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide;1-(1-methylpyrrolidin-3-yl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 165006824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).