4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

C181H154Cl2F18N40O22 — CID 158159007

IUPAC4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)Nc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)CCl)c(C(F)(F)F)c4)[nH]c3c2)ccn1
InChIInChI=1S/C29H24F3N7O3.C27H24F3N5O3.C26H25ClN6O4.C26H22F3N5O3.C25H21F3N6O3.C24H19ClF3N5O3.C24H19F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-14(2)10-23(35)18-6-4-15(11-19(18)26(27,28)29)32-25-33-20-7-5-16(12-21(20)34-25)37-17-8-9-31-22(13-17)24(36)30-3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2;1-29-22(35)21-11-17(6-7-30-21)36-16-4-5-19-20(10-16)33-23(32-19)31-14-3-2-13(8-15(34)12-25)18(9-14)24(26,27)28;1-3-21(34)31-17-6-4-13(10-16(17)24(25,26)27)30-23-32-18-7-5-14(11-19(18)33-23)36-15-8-9-29-20(12-15)22(35)28-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-13H,1-3H3,(H,30,36)(H2,32,33,34);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34);2-7,9-11H,8,12H2,1H3,(H,29,35)(H2,31,32,33);3-12H,1H2,2H3,(H,28,35)(H,31,34)(H2,30,32,33)
InChIKeyFWAQUDQSLYFJFL-UHFFFAOYSA-N
MW3654.35 g/mol
LogP36.49
Rot. Bonds56

About 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 158159007) has the molecular formula C181H154Cl2F18N40O22 and a molecular weight of 3654.35 g/mol. Its IUPAC name is 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID158159007
Molecular FormulaC181H154Cl2F18N40O22
Molecular Weight3654.35 g/mol
Exact Mass3651.13
IUPAC Name4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)Nc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)CCl)c(C(F)(F)F)c4)[nH]c3c2)ccn1
InChIInChI=1S/C29H24F3N7O3.C27H24F3N5O3.C26H25ClN6O4.C26H22F3N5O3.C25H21F3N6O3.C24H19ClF3N5O3.C24H19F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-14(2)10-23(35)18-6-4-15(11-19(18)26(27,28)29)32-25-33-20-7-5-16(12-21(20)34-25)37-17-8-9-31-22(13-17)24(36)30-3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2;1-29-22(35)21-11-17(6-7-30-21)36-16-4-5-19-20(10-16)33-23(32-19)31-14-3-2-13(8-15(34)12-25)18(9-14)24(26,27)28;1-3-21(34)31-17-6-4-13(10-16(17)24(25,26)27)30-23-32-18-7-5-14(11-19(18)33-23)36-15-8-9-29-20(12-15)22(35)28-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-13H,1-3H3,(H,30,36)(H2,32,33,34);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34);2-7,9-11H,8,12H2,1H3,(H,29,35)(H2,31,32,33);3-12H,1H2,2H3,(H,28,35)(H,31,34)(H2,30,32,33)
InChIKeyFWAQUDQSLYFJFL-UHFFFAOYSA-N
XLogP36.49
TPSA828.35 Ų
H-Bond Donors24
H-Bond Acceptors45
Rotatable Bonds56
Heavy Atoms263
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003654.35
LogP ≤ 536.49
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 158159007) is 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is C=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)Nc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)CCl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is FWAQUDQSLYFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N7O3.C27H24F3N5O3.C26H25ClN6O4.C26H22F3N5O3.C25H21F3N6O3.C24H19ClF3N5O3.C24H19F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-14(2)10-23(35)18-6-4-15(11-19(18)26(27,28)29)32-25-33-20-7-5-16(12-21(20)34-25)37-17-8-9-31-22(13-17)24(36)30-3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2;1-29-22(35)21-11-17(6-7-30-21)36-16-4-5-19-20(10-16)33-23(32-19)31-14-3-2-13(8-15(34)12-25)18(9-14)24(26,27)28;1-3-21(34)31-17-6-4-13(10-16(17)24(25,26)27)30-23-32-18-7-5-14(11-19(18)33-23)36-15-8-9-29-20(12-15)22(35)28-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-13H,1-3H3,(H,30,36)(H2,32,33,34);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34);2-7,9-11H,8,12H2,1H3,(H,29,35)(H2,31,32,33);3-12H,1H2,2H3,(H,28,35)(H,31,34)(H2,30,32,33).
What are the key properties of 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 3654.35 g/mol, XLogP of 36.49, 56 rotatable bonds, 24 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-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;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 158159007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).