[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone

C94H91Cl8F11N12O6 — CID 158304239

About [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone (PubChem CID 158304239) has the molecular formula C94H91Cl8F11N12O6 and a molecular weight of 1977.44 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone
• PubChem CID: 158304239
• Molecular Formula: C94H91Cl8F11N12O6
• Molecular Weight: 1977.44 g/mol
• Exact Mass: 1972.45
• IUPAC Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone
• SMILES: CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(C(F)(F)F)cc3n2C)c1Cl.CCCC1CN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.Cc1cc(C(C)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(C)C3)c1Cl)n2C
• InChI: InChI=1S/C25H24Cl2F3N3O2.C24H24Cl2F3N3O.C23H23Cl2F2N3O2.C22H20Cl2F3N3O/c1-4-20(34)18-6-5-9-33(18)24(35)15-7-8-17(26)16(22(15)27)12-21-31-23-13(2)10-14(25(28,29)30)11-19(23)32(21)3;1-4-5-14-11-32(12-14)23(33)16-6-7-18(25)17(21(16)26)10-20-30-22-13(2)8-15(24(27,28)29)9-19(22)31(20)3;1-13-10-14(23(2,26)27)11-18-21(13)28-19(29(18)3)12-16-17(24)5-4-15(20(16)25)22(31)30-6-8-32-9-7-30;1-11-9-30(10-11)21(31)14-4-5-16(23)15(19(14)24)8-18-28-20-12(2)6-13(22(25,26)27)7-17(20)29(18)3/h7-8,10-11,18H,4-6,9,12H2,1-3H3;6-9,14H,4-5,10-12H2,1-3H3;4-5,10-11H,6-9,12H2,1-3H3;4-7,11H,8-10H2,1-3H3/t18-;;;/m0.../s1
• InChIKey: GMWNUGLXVQJXBD-LPECGTQYSA-N
• XLogP: 24.31
• TPSA: 178.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.44
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone?

The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone (CID 158304239) is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone.

What is the SMILES notation for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone?

The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone is CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(C(F)(F)F)cc3n2C)c1Cl.CCCC1CN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.Cc1cc(C(C)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(C)C3)c1Cl)n2C.

What is the InChIKey of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone?

The InChIKey is GMWNUGLXVQJXBD-LPECGTQYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N3O2.C24H24Cl2F3N3O.C23H23Cl2F2N3O2.C22H20Cl2F3N3O/c1-4-20(34)18-6-5-9-33(18)24(35)15-7-8-17(26)16(22(15)27)12-21-31-23-13(2)10-14(25(28,29)30)11-19(23)32(21)3;1-4-5-14-11-32(12-14)23(33)16-6-7-18(25)17(21(16)26)10-20-30-22-13(2)8-15(24(27,28)29)9-19(22)31(20)3;1-13-10-14(23(2,26)27)11-18-21(13)28-19(29(18)3)12-16-17(24)5-4-15(20(16)25)22(31)30-6-8-32-9-7-30;1-11-9-30(10-11)21(31)14-4-5-16(23)15(19(14)24)8-18-28-20-12(2)6-13(22(25,26)27)7-17(20)29(18)3/h7-8,10-11,18H,4-6,9,12H2,1-3H3;6-9,14H,4-5,10-12H2,1-3H3;4-5,10-11H,6-9,12H2,1-3H3;4-7,11H,8-10H2,1-3H3/t18-;;;/m0.../s1.

What are the key properties of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone?

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone has a molecular weight of 1977.44 g/mol, XLogP of 24.31, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(2S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]benzoyl]pyrrolidin-2-yl]propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylazetidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 158304239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).