[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone

C100H99Cl8F12N9O5 — CID 158589469

About [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone (PubChem CID 158589469) has the molecular formula C100H99Cl8F12N9O5 and a molecular weight of 2018.55 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone
• PubChem CID: 158589469
• Molecular Formula: C100H99Cl8F12N9O5
• Molecular Weight: 2018.55 g/mol
• Exact Mass: 2013.51
• IUPAC Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone
• SMILES: CCC1CN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)C3CCC4(CCC4)CC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)CC3CCC(C)CC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)CCC3CCCO3)c1Cl)n2C
• InChI: InChI=1S/C27H27Cl2F3N2O.C26H27Cl2F3N2O.C24H23Cl2F3N2O2.C23H22Cl2F3N3O/c1-15-12-17(27(30,31)32)13-21-24(15)33-22(34(21)2)14-19-20(28)5-4-18(23(19)29)25(35)16-6-10-26(11-7-16)8-3-9-26;1-14-4-6-16(7-5-14)11-22(34)18-8-9-20(27)19(24(18)28)13-23-32-25-15(2)10-17(26(29,30)31)12-21(25)33(23)3;1-13-10-14(24(27,28)29)11-19-23(13)30-21(31(19)2)12-17-18(25)7-6-16(22(17)26)20(32)8-5-15-4-3-9-33-15;1-4-13-10-31(11-13)22(32)15-5-6-17(24)16(20(15)25)9-19-29-21-12(2)7-14(23(26,27)28)8-18(21)30(19)3/h4-5,12-13,16H,3,6-11,14H2,1-2H3;8-10,12,14,16H,4-7,11,13H2,1-3H3;6-7,10-11,15H,3-5,8-9,12H2,1-2H3;5-8,13H,4,9-11H2,1-3H3
• InChIKey: HUGNTIHHMGWKQA-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 152.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.55
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone (CID 158589469) is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone is CCC1CN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)C3CCC4(CCC4)CC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)CC3CCC(C)CC3)c1Cl)n2C.Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)CCC3CCCO3)c1Cl)n2C.

What is the InChIKey of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone?

The InChIKey is HUGNTIHHMGWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O.C26H27Cl2F3N2O.C24H23Cl2F3N2O2.C23H22Cl2F3N3O/c1-15-12-17(27(30,31)32)13-21-24(15)33-22(34(21)2)14-19-20(28)5-4-18(23(19)29)25(35)16-6-10-26(11-7-16)8-3-9-26;1-14-4-6-16(7-5-14)11-22(34)18-8-9-20(27)19(24(18)28)13-23-32-25-15(2)10-17(26(29,30)31)12-21(25)33(23)3;1-13-10-14(24(27,28)29)11-19-23(13)30-21(31(19)2)12-17-18(25)7-6-16(22(17)26)20(32)8-5-15-4-3-9-33-15;1-4-13-10-31(11-13)22(32)15-5-6-17(24)16(20(15)25)9-19-29-21-12(2)7-14(23(26,27)28)8-18(21)30(19)3/h4-5,12-13,16H,3,6-11,14H2,1-2H3;8-10,12,14,16H,4-7,11,13H2,1-3H3;6-7,10-11,15H,3-5,8-9,12H2,1-2H3;5-8,13H,4,9-11H2,1-3H3.

What are the key properties of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone?

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone has a molecular weight of 2018.55 g/mol, XLogP of 29.76, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-ethylazetidin-1-yl)methanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-2-(4-methylcyclohexyl)ethanone;1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-3-(oxolan-2-yl)propan-1-one;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-spiro[3.5]nonan-7-ylmethanone is sourced from PubChem (CID 158589469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).