4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

C183H154Cl4F12N40O25S3 — CID 158705885

IUPAC4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC/C=C/C(=O)COc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C/C=C/C(=O)COc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C5CCSS5)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)c5c(F)ccnc5F)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(NC(=O)c5cnc(F)s5)c4)[nH]c3c2)ccn1
InChIInChI=1S/C28H27ClN6O5.C28H19F5N6O3.C26H25ClN6O3.C26H22F3N5O4.C26H22F3N5O3S2.C25H22ClN5O4.C24H17ClFN7O3S/c1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-34-26(41)22-13-17(6-8-35-22)42-16-4-5-20-21(12-16)39-27(38-20)37-15-3-2-14(18(11-15)28(31,32)33)10-23(40)24-19(29)7-9-36-25(24)30;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-4-16(35)14-37-23-8-5-15(11-19(23)26(27,28)29)32-25-33-20-7-6-17(12-21(20)34-25)38-18-9-10-31-22(13-18)24(36)30-2;1-30-24(36)21-13-17(6-8-31-21)37-16-4-5-19-20(12-16)34-25(33-19)32-15-3-2-14(18(11-15)26(27,28)29)10-22(35)23-7-9-38-39-23;1-3-4-16(32)14-34-23-11-15(5-7-19(23)26)29-25-30-20-8-6-17(12-21(20)31-25)35-18-9-10-28-22(13-18)24(33)27-2;1-27-21(34)19-10-14(6-7-28-19)36-13-3-5-16-18(9-13)33-24(32-16)30-12-2-4-15(25)17(8-12)31-22(35)20-11-29-23(26)37-20/h3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);2-9,11-13H,10H2,1H3,(H,34,41)(H2,37,38,39);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-13H,14H2,1-2H3,(H,30,36)(H2,32,33,34);2-6,8,11-13,23H,7,9-10H2,1H3,(H,30,36)(H2,32,33,34);3-13H,14H2,1-2H3,(H,27,33)(H2,29,30,31);2-11H,1H3,(H,27,34)(H,31,35)(H2,30,32,33)/b;;5-4+;4-3+;;4-3+;
InChIKeyIICJWJLUYJFNOS-CMBBEODZSA-N
MW3779.49 g/mol
LogP36.65
Rot. Bonds58

About 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 158705885) has the molecular formula C183H154Cl4F12N40O25S3 and a molecular weight of 3779.49 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID158705885
Molecular FormulaC183H154Cl4F12N40O25S3
Molecular Weight3779.49 g/mol
Exact Mass3774.97
IUPAC Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC/C=C/C(=O)COc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C/C=C/C(=O)COc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C5CCSS5)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)c5c(F)ccnc5F)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(NC(=O)c5cnc(F)s5)c4)[nH]c3c2)ccn1
InChIInChI=1S/C28H27ClN6O5.C28H19F5N6O3.C26H25ClN6O3.C26H22F3N5O4.C26H22F3N5O3S2.C25H22ClN5O4.C24H17ClFN7O3S/c1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-34-26(41)22-13-17(6-8-35-22)42-16-4-5-20-21(12-16)39-27(38-20)37-15-3-2-14(18(11-15)28(31,32)33)10-23(40)24-19(29)7-9-36-25(24)30;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-4-16(35)14-37-23-8-5-15(11-19(23)26(27,28)29)32-25-33-20-7-6-17(12-21(20)34-25)38-18-9-10-31-22(13-18)24(36)30-2;1-30-24(36)21-13-17(6-8-31-21)37-16-4-5-19-20(12-16)34-25(33-19)32-15-3-2-14(18(11-15)26(27,28)29)10-22(35)23-7-9-38-39-23;1-3-4-16(32)14-34-23-11-15(5-7-19(23)26)29-25-30-20-8-6-17(12-21(20)31-25)35-18-9-10-28-22(13-18)24(33)27-2;1-27-21(34)19-10-14(6-7-28-19)36-13-3-5-16-18(9-13)33-24(32-16)30-12-2-4-15(25)17(8-12)31-22(35)20-11-29-23(26)37-20/h3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);2-9,11-13H,10H2,1H3,(H,34,41)(H2,37,38,39);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-13H,14H2,1-2H3,(H,30,36)(H2,32,33,34);2-6,8,11-13,23H,7,9-10H2,1H3,(H,30,36)(H2,32,33,34);3-13H,14H2,1-2H3,(H,27,33)(H2,29,30,31);2-11H,1H3,(H,27,34)(H,31,35)(H2,30,32,33)/b;;5-4+;4-3+;;4-3+;
InChIKeyIICJWJLUYJFNOS-CMBBEODZSA-N
XLogP36.65
TPSA855.21 Ų
H-Bond Donors23
H-Bond Acceptors52
Rotatable Bonds58
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003779.49
LogP ≤ 536.65
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 157786168
(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;1-(2,4-difluoro-3-pyridinyl)-2-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]ethanone;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 158547636
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 158622416
N-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;1-(2,4-difluoro-3-pyridinyl)-2-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]ethanone;1-(dithiolan-3-yl)-2-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]ethanone;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-yn-2-one
CID 160087698
4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 162011110

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 158705885) is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is C/C=C/C(=O)COc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C/C=C/C(=O)COc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C5CCSS5)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)c5c(F)ccnc5F)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(NC(=O)c5cnc(F)s5)c4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is IICJWJLUYJFNOS-CMBBEODZSA-N. The full InChI is InChI=1S/C28H27ClN6O5.C28H19F5N6O3.C26H25ClN6O3.C26H22F3N5O4.C26H22F3N5O3S2.C25H22ClN5O4.C24H17ClFN7O3S/c1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-34-26(41)22-13-17(6-8-35-22)42-16-4-5-20-21(12-16)39-27(38-20)37-15-3-2-14(18(11-15)28(31,32)33)10-23(40)24-19(29)7-9-36-25(24)30;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-4-16(35)14-37-23-8-5-15(11-19(23)26(27,28)29)32-25-33-20-7-6-17(12-21(20)34-25)38-18-9-10-31-22(13-18)24(36)30-2;1-30-24(36)21-13-17(6-8-31-21)37-16-4-5-19-20(12-16)34-25(33-19)32-15-3-2-14(18(11-15)26(27,28)29)10-22(35)23-7-9-38-39-23;1-3-4-16(32)14-34-23-11-15(5-7-19(23)26)29-25-30-20-8-6-17(12-21(20)31-25)35-18-9-10-28-22(13-18)24(33)27-2;1-27-21(34)19-10-14(6-7-28-19)36-13-3-5-16-18(9-13)33-24(32-16)30-12-2-4-15(25)17(8-12)31-22(35)20-11-29-23(26)37-20/h3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);2-9,11-13H,10H2,1H3,(H,34,41)(H2,37,38,39);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-13H,14H2,1-2H3,(H,30,36)(H2,32,33,34);2-6,8,11-13,23H,7,9-10H2,1H3,(H,30,36)(H2,32,33,34);3-13H,14H2,1-2H3,(H,27,33)(H2,29,30,31);2-11H,1H3,(H,27,34)(H,31,35)(H2,30,32,33)/b;;5-4+;4-3+;;4-3+;.
What are the key properties of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 3779.49 g/mol, XLogP of 36.65, 58 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 158705885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).