N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide

C190H202F17N45O14 — CID 165028581

IUPACN-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3[nH]c(Nc4ccc(C)cc4F)nc3c2C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3c2)ccn1.CCN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4c(C)c(Oc5ccnc(NC(C)=O)c5)ccc4[nH]3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)c(C)c4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H34F3N7O2.4C29H32F3N7O2.2C22H20FN5O2/c1-5-39-12-14-40(15-13-39)18-21-6-7-22(16-24(21)30(31,32)33)36-29-37-25-8-9-26(19(2)28(25)38(29)4)42-23-10-11-34-27(17-23)35-20(3)41;1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-6-5-23(16-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-16-22(7-8-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-8-7-22(16-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)17-20-5-6-21(15-23(20)29(30,31)32)35-28-36-24-7-8-25(18(2)27(24)37-28)41-22-9-10-33-26(16-22)34-19(3)40;1-13-4-6-18(17(23)10-13)26-22-27-19-7-5-15(11-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-17(16(23)10-12)26-22-27-18-6-7-19(13(2)21(18)28-22)30-15-8-9-24-20(11-15)25-14(3)29/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,36,37)(H,34,35,41);5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);2*5-10,15-17H,4,11-14,18H2,1-3H3,(H,35,36)(H,33,34,40);5-10,15-16H,4,11-14,17H2,1-3H3,(H,33,34,40)(H2,35,36,37);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,24,25,29)(H2,26,27,28)
InChIKeyMGYPPCMZXQVUOM-UHFFFAOYSA-N
MW3662.97 g/mol
LogP38.82
Rot. Bonds50

About N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide

N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 165028581) has the molecular formula C190H202F17N45O14 and a molecular weight of 3662.97 g/mol. Its IUPAC name is N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
PubChem CID165028581
Molecular FormulaC190H202F17N45O14
Molecular Weight3662.97 g/mol
Exact Mass3660.62
IUPAC NameN-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3[nH]c(Nc4ccc(C)cc4F)nc3c2C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3c2)ccn1.CCN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4c(C)c(Oc5ccnc(NC(C)=O)c5)ccc4[nH]3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)c(C)c4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H34F3N7O2.4C29H32F3N7O2.2C22H20FN5O2/c1-5-39-12-14-40(15-13-39)18-21-6-7-22(16-24(21)30(31,32)33)36-29-37-25-8-9-26(19(2)28(25)38(29)4)42-23-10-11-34-27(17-23)35-20(3)41;1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-6-5-23(16-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-16-22(7-8-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-8-7-22(16-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)17-20-5-6-21(15-23(20)29(30,31)32)35-28-36-24-7-8-25(18(2)27(24)37-28)41-22-9-10-33-26(16-22)34-19(3)40;1-13-4-6-18(17(23)10-13)26-22-27-19-7-5-15(11-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-17(16(23)10-12)26-22-27-18-6-7-19(13(2)21(18)28-22)30-15-8-9-24-20(11-15)25-14(3)29/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,36,37)(H,34,35,41);5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);2*5-10,15-17H,4,11-14,18H2,1-3H3,(H,35,36)(H,33,34,40);5-10,15-16H,4,11-14,17H2,1-3H3,(H,33,34,40)(H2,35,36,37);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,24,25,29)(H2,26,27,28)
InChIKeyMGYPPCMZXQVUOM-UHFFFAOYSA-N
XLogP38.82
TPSA621.61 Ų
H-Bond Donors16
H-Bond Acceptors50
Rotatable Bonds50
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003662.97
LogP ≤ 538.82
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1050

Analyze N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[2-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)anilino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]oxy]-2-pyridinyl]acetamide
CID 156213269
N-[4-[[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]oxy]-2-pyridinyl]acetamide
CID 156213810
N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]oxy]-2-pyridinyl]acetamide
CID 156242556
bis[N-[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-yl]-4-(trifluoromethyl)anilino] (Z)-but-2-enedioate
CID 87260082
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 148623081
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 149278216
N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]pyridin-2-yl]acetamide
CID 153583770
N-[4-[2-[4-[[4-[2-[2-(2-acetamidopyridin-4-yl)oxy-8-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]purin-7-yl]ethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridin-2-yl]acetamide
CID 153583794
N-[4-[[2-[4-[[4-[4-[3-[[7-[(2-acetamido-4-pyridinyl)oxy]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]amino]phenyl]-4-cyanopentyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)anilino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]oxy]-2-pyridinyl]acetamide
CID 156242691
N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-5-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]oxy]-2-pyridinyl]acetamide
CID 156242694
N-[4-[[3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-8-yl]oxy]-2-pyridinyl]acetamide
CID 156242695
N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-5-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]oxy]-2-pyridinyl]acetamide
CID 156242809

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide (CID 165028581) is N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3[nH]c(Nc4ccc(C)cc4F)nc3c2C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3c2)ccn1.CCN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4c(C)c(Oc5ccnc(NC(C)=O)c5)ccc4[nH]3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)c(C)c4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is MGYPPCMZXQVUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N7O2.4C29H32F3N7O2.2C22H20FN5O2/c1-5-39-12-14-40(15-13-39)18-21-6-7-22(16-24(21)30(31,32)33)36-29-37-25-8-9-26(19(2)28(25)38(29)4)42-23-10-11-34-27(17-23)35-20(3)41;1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-6-5-23(16-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-16-22(7-8-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)18-20-5-6-21(15-24(20)29(30,31)32)35-28-36-25-8-7-22(16-26(25)37(28)3)41-23-9-10-33-27(17-23)34-19(2)40;1-4-38-11-13-39(14-12-38)17-20-5-6-21(15-23(20)29(30,31)32)35-28-36-24-7-8-25(18(2)27(24)37-28)41-22-9-10-33-26(16-22)34-19(3)40;1-13-4-6-18(17(23)10-13)26-22-27-19-7-5-15(11-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-17(16(23)10-12)26-22-27-18-6-7-19(13(2)21(18)28-22)30-15-8-9-24-20(11-15)25-14(3)29/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,36,37)(H,34,35,41);5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);2*5-10,15-17H,4,11-14,18H2,1-3H3,(H,35,36)(H,33,34,40);5-10,15-16H,4,11-14,17H2,1-3H3,(H,33,34,40)(H2,35,36,37);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,24,25,29)(H2,26,27,28).
What are the key properties of N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 3662.97 g/mol, XLogP of 38.82, 50 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 165028581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).