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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide

C141H120BrClF9N15O14 — CID 167632513

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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(C)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(C)cc(CO)c1CO.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C27H20F3NO2.C26H24N2O2.C23H18F3NO2.C21H17BrN4O2.C21H14ClF3N4O2.C13H13N3O.C10H14O3/c1-17-7-8-18(13-25(32)20-4-2-6-23(15-20)27(28,29)30)12-22(17)16-26(33)21-9-10-24-19(14-21)5-3-11-31-24;1-18-12-13-19(14-23(18)25(30)28-22-10-5-4-6-11-22)15-24(29)20-8-7-9-21(16-20)26(2,3)17-27;1-15-10-11-16(12-20(15)22(29)27-19-8-3-2-4-9-19)13-21(28)17-6-5-7-18(14-17)23(24,25)26;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;1-9-7-14-8-13(15-9)11-4-3-5-12(6-11)16-10(2)17;1-7-3-8(5-11)9(6-12)10(4-7)13-2/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13H2,1H3,(H,27,29);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);3-8H,1-2H3,(H,16,17);3-4,11-12H,5-6H2,1-2H3
InChIKeyNZWNHETXFCVGPG-UHFFFAOYSA-N
MW2534.94 g/mol
LogP32.81
Rot. Bonds32

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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide (PubChem CID 167632513) has the molecular formula C141H120BrClF9N15O14 and a molecular weight of 2534.94 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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide
PubChem CID167632513
Molecular FormulaC141H120BrClF9N15O14
Molecular Weight2534.94 g/mol
Exact Mass2531.79
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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(C)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(C)cc(CO)c1CO.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C27H20F3NO2.C26H24N2O2.C23H18F3NO2.C21H17BrN4O2.C21H14ClF3N4O2.C13H13N3O.C10H14O3/c1-17-7-8-18(13-25(32)20-4-2-6-23(15-20)27(28,29)30)12-22(17)16-26(33)21-9-10-24-19(14-21)5-3-11-31-24;1-18-12-13-19(14-23(18)25(30)28-22-10-5-4-6-11-22)15-24(29)20-8-7-9-21(16-20)26(2,3)17-27;1-15-10-11-16(12-20(15)22(29)27-19-8-3-2-4-9-19)13-21(28)17-6-5-7-18(14-17)23(24,25)26;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;1-9-7-14-8-13(15-9)11-4-3-5-12(6-11)16-10(2)17;1-7-3-8(5-11)9(6-12)10(4-7)13-2/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13H2,1H3,(H,27,29);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);3-8H,1-2H3,(H,16,17);3-4,11-12H,5-6H2,1-2H3
InChIKeyNZWNHETXFCVGPG-UHFFFAOYSA-N
XLogP32.81
TPSA416.67 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.94
LogP ≤ 532.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide (CID 167632513) 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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(C)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(C)cc(CO)c1CO.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide?
The InChIKey is NZWNHETXFCVGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO2.C26H24N2O2.C23H18F3NO2.C21H17BrN4O2.C21H14ClF3N4O2.C13H13N3O.C10H14O3/c1-17-7-8-18(13-25(32)20-4-2-6-23(15-20)27(28,29)30)12-22(17)16-26(33)21-9-10-24-19(14-21)5-3-11-31-24;1-18-12-13-19(14-23(18)25(30)28-22-10-5-4-6-11-22)15-24(29)20-8-7-9-21(16-20)26(2,3)17-27;1-15-10-11-16(12-20(15)22(29)27-19-8-3-2-4-9-19)13-21(28)17-6-5-7-18(14-17)23(24,25)26;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;1-9-7-14-8-13(15-9)11-4-3-5-12(6-11)16-10(2)17;1-7-3-8(5-11)9(6-12)10(4-7)13-2/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13H2,1H3,(H,27,29);3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29);3-8H,1-2H3,(H,16,17);3-4,11-12H,5-6H2,1-2H3.
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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide has a molecular weight of 2534.94 g/mol, XLogP of 32.81, 32 rotatable bonds, 8 hydrogen bond donors, and 25 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-[2-[3-(2-cyanopropan-2-yl)phenyl]-2-oxoethyl]-2-methyl-N-phenylbenzamide;[2-(hydroxymethyl)-3-methoxy-5-methylphenyl]methanol;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-N-phenylbenzamide;N-[3-(6-methylpyrazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 167632513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).