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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C119H94BrClF9N11O10 — CID 157264664

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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=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.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccccc1
InChIInChI=1S/C27H20F3NO2.C26H24N2O2.C24H19F3O2.C21H17BrN4O2.C21H14ClF3N4O2/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;1-16-10-11-17(12-20(16)15-23(29)18-6-3-2-4-7-18)13-22(28)19-8-5-9-21(14-19)24(25,26)27;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/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13,15H2,1H3;3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29)
InChIKeyAXVYUHLZPHQCPQ-UHFFFAOYSA-N
MW2124.47 g/mol
LogP29.59
Rot. Bonds28

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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 157264664) has the molecular formula C119H94BrClF9N11O10 and a molecular weight of 2124.47 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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID157264664
Molecular FormulaC119H94BrClF9N11O10
Molecular Weight2124.47 g/mol
Exact Mass2121.59
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=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.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccccc1
InChIInChI=1S/C27H20F3NO2.C26H24N2O2.C24H19F3O2.C21H17BrN4O2.C21H14ClF3N4O2/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;1-16-10-11-17(12-20(16)15-23(29)18-6-3-2-4-7-18)13-22(28)19-8-5-9-21(14-19)24(25,26)27;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/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13,15H2,1H3;3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29)
InChIKeyAXVYUHLZPHQCPQ-UHFFFAOYSA-N
XLogP29.59
TPSA300.07 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.47
LogP ≤ 529.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone 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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 157264664) 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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is 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.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccccc1.
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AXVYUHLZPHQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO2.C26H24N2O2.C24H19F3O2.C21H17BrN4O2.C21H14ClF3N4O2/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;1-16-10-11-17(12-20(16)15-23(29)18-6-3-2-4-7-18)13-22(28)19-8-5-9-21(14-19)24(25,26)27;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/h2-12,14-15H,13,16H2,1H3;4-14,16H,15H2,1-3H3,(H,28,30);2-12,14H,13,15H2,1H3;3-12H,1-2H3,(H,24,25);2-10H,1H3,(H2,27,28,29).
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2124.47 g/mol, XLogP of 29.59, 28 rotatable bonds, 4 hydrogen bond donors, and 19 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-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 157264664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).