1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

C156H128BrClF9N25O16 — CID 158216071

IUPAC1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1.CC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1.CC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1OC.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C25H18F3N3O2.C25H23N3O2.C22H17F3N2O2.C21H17BrN4O2.C21H14ClF3N4O2.C21H17N5O2.C21H22N4O4/c1-15-7-9-20(30-23(32)17-4-2-6-19(13-17)25(26,27)28)14-22(15)31-24(33)18-8-10-21-16(12-18)5-3-11-29-21;1-17-12-13-21(15-22(17)24(30)27-20-10-5-4-6-11-20)28-23(29)18-8-7-9-19(14-18)25(2,3)16-26;1-14-10-11-18(13-19(14)21(29)26-17-8-3-2-4-9-17)27-20(28)15-6-5-7-16(12-15)22(23,24)25;1-13(27)18-11-17(9-10-23-18)28-16-7-8-20-19(12-16)25-21(26(20)2)24-15-5-3-14(22)4-6-15;1-11(30)18-9-14(6-7-26-18)31-13-3-5-17-19(10-13)29-20(28-17)27-12-2-4-16(22)15(8-12)21(23,24)25;1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20;1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h2-14H,1H3,(H,30,32)(H,31,33);4-15H,1-3H3,(H,27,30)(H,28,29);2-13H,1H3,(H,26,29)(H,27,28);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);2-13H,1H3,(H,24,27)(H,25,26);5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyGCQUKZYEFUOPRL-UHFFFAOYSA-N
MW2895.24 g/mol
LogP37.10
Rot. Bonds35

About 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 158216071) has the molecular formula C156H128BrClF9N25O16 and a molecular weight of 2895.24 g/mol. Its IUPAC name is 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID158216071
Molecular FormulaC156H128BrClF9N25O16
Molecular Weight2895.24 g/mol
Exact Mass2891.87
IUPAC Name1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1.CC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1.CC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1OC.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C25H18F3N3O2.C25H23N3O2.C22H17F3N2O2.C21H17BrN4O2.C21H14ClF3N4O2.C21H17N5O2.C21H22N4O4/c1-15-7-9-20(30-23(32)17-4-2-6-19(13-17)25(26,27)28)14-22(15)31-24(33)18-8-10-21-16(12-18)5-3-11-29-21;1-17-12-13-21(15-22(17)24(30)27-20-10-5-4-6-11-20)28-23(29)18-8-7-9-19(14-18)25(2,3)16-26;1-14-10-11-18(13-19(14)21(29)26-17-8-3-2-4-9-17)27-20(28)15-6-5-7-16(12-15)22(23,24)25;1-13(27)18-11-17(9-10-23-18)28-16-7-8-20-19(12-16)25-21(26(20)2)24-15-5-3-14(22)4-6-15;1-11(30)18-9-14(6-7-26-18)31-13-3-5-17-19(10-13)29-20(28-17)27-12-2-4-16(22)15(8-12)21(23,24)25;1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20;1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h2-14H,1H3,(H,30,32)(H,31,33);4-15H,1-3H3,(H,27,30)(H,28,29);2-13H,1H3,(H,26,29)(H,27,28);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);2-13H,1H3,(H,24,27)(H,25,26);5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyGCQUKZYEFUOPRL-UHFFFAOYSA-N
XLogP37.10
TPSA547.76 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002895.24
LogP ≤ 537.10
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (CID 158216071) is 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1.CC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1.CC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1OC.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is GCQUKZYEFUOPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2.C25H23N3O2.C22H17F3N2O2.C21H17BrN4O2.C21H14ClF3N4O2.C21H17N5O2.C21H22N4O4/c1-15-7-9-20(30-23(32)17-4-2-6-19(13-17)25(26,27)28)14-22(15)31-24(33)18-8-10-21-16(12-18)5-3-11-29-21;1-17-12-13-21(15-22(17)24(30)27-20-10-5-4-6-11-20)28-23(29)18-8-7-9-19(14-18)25(2,3)16-26;1-14-10-11-18(13-19(14)21(29)26-17-8-3-2-4-9-17)27-20(28)15-6-5-7-16(12-15)22(23,24)25;1-13(27)18-11-17(9-10-23-18)28-16-7-8-20-19(12-16)25-21(26(20)2)24-15-5-3-14(22)4-6-15;1-11(30)18-9-14(6-7-26-18)31-13-3-5-17-19(10-13)29-20(28-17)27-12-2-4-16(22)15(8-12)21(23,24)25;1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20;1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h2-14H,1H3,(H,30,32)(H,31,33);4-15H,1-3H3,(H,27,30)(H,28,29);2-13H,1H3,(H,26,29)(H,27,28);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);2-13H,1H3,(H,24,27)(H,25,26);5-12H,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 2895.24 g/mol, XLogP of 37.10, 35 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-phenylbenzamide;2-methyl-N-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide;N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide;N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 158216071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).