1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

C98H98Cl8F11N11O7 — CID 158803931

About 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (PubChem CID 158803931) has the molecular formula C98H98Cl8F11N11O7 and a molecular weight of 2034.53 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
• PubChem CID: 158803931
• Molecular Formula: C98H98Cl8F11N11O7
• Molecular Weight: 2034.53 g/mol
• Exact Mass: 2029.50
• IUPAC Name: 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
• SMILES: COC1CCC(CC(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COCCC1CN(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)CC3COC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(N4CCCC4)C3)c1Cl)n2C
• InChI: InChI=1S/C26H27Cl2F3N2O2.C25H25Cl2F3N4O.C24H24Cl2F3N3O2.C23H22Cl2F2N2O2/c1-14-10-16(26(29,30)31)12-21-25(14)32-23(33(21)2)13-19-20(27)9-8-18(24(19)28)22(34)11-15-4-6-17(35-3)7-5-15;1-14-9-15(25(28,29)30)10-20-23(14)31-21(32(20)2)11-18-19(26)6-5-17(22(18)27)24(35)34-12-16(13-34)33-7-3-4-8-33;1-13-8-15(24(27,28)29)9-19-22(13)30-20(31(19)2)10-17-18(25)5-4-16(21(17)26)23(33)32-11-14(12-32)6-7-34-3;1-12-6-14(23(2,26)27)8-18-22(12)28-20(29(18)3)9-16-17(24)5-4-15(21(16)25)19(30)7-13-10-31-11-13/h8-10,12,15,17H,4-7,11,13H2,1-3H3;5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3;4-5,8-9,14H,6-7,10-12H2,1-3H3;4-6,8,13H,7,9-11H2,1-3H3
• InChIKey: ITVIWLYFMRIDBC-UHFFFAOYSA-N
• XLogP: 25.31
• TPSA: 176.97 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.53
LogP ≤ 5	25.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?

The IUPAC name of 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (CID 158803931) is 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.

What is the SMILES notation for 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?

The canonical SMILES for 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is COC1CCC(CC(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COCCC1CN(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)CC3COC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(N4CCCC4)C3)c1Cl)n2C.

What is the InChIKey of 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?

The InChIKey is ITVIWLYFMRIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2F3N2O2.C25H25Cl2F3N4O.C24H24Cl2F3N3O2.C23H22Cl2F2N2O2/c1-14-10-16(26(29,30)31)12-21-25(14)32-23(33(21)2)13-19-20(27)9-8-18(24(19)28)22(34)11-15-4-6-17(35-3)7-5-15;1-14-9-15(25(28,29)30)10-20-23(14)31-21(32(20)2)11-18-19(26)6-5-17(22(18)27)24(35)34-12-16(13-34)33-7-3-4-8-33;1-13-8-15(24(27,28)29)9-19-22(13)30-20(31(19)2)10-17-18(25)5-4-16(21(17)26)23(33)32-11-14(12-32)6-7-34-3;1-12-6-14(23(2,26)27)8-18-22(12)28-20(29(18)3)9-16-17(24)5-4-15(21(16)25)19(30)7-13-10-31-11-13/h8-10,12,15,17H,4-7,11,13H2,1-3H3;5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3;4-5,8-9,14H,6-7,10-12H2,1-3H3;4-6,8,13H,7,9-11H2,1-3H3.

What are the key properties of 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?

1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone has a molecular weight of 2034.53 g/mol, XLogP of 25.31, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-2-(oxetan-3-yl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methoxycyclohexyl)ethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(2-methoxyethyl)azetidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 158803931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).