4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one

C64H59Cl5F9N13O9S3 — CID 158843287

IUPAC4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(C(F)(F)F)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)nc2cc(Cl)ccc21
InChIInChI=1S/C23H22ClF3N4O3S.C21H19Cl2F3N4O3S.C20H18Cl2F3N5O3S/c1-35(33,34)11-3-10-29-18-9-6-14(24)12-17(18)28-20(29)13-30-19-5-2-4-16(23(25,26)27)21(19)31(22(30)32)15-7-8-15;1-34(32,33)9-3-8-28-16-7-6-13(22)10-15(16)27-18(28)11-29-17-5-2-4-14(23)19(17)30(20(29)31)12-21(24,25)26;1-34(32,33)6-2-5-28-15-4-3-12(21)7-14(15)27-17(28)10-29-16-9-26-8-13(22)18(16)30(19(29)31)11-20(23,24)25/h2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;2,4-7,10H,3,8-9,11-12H2,1H3;3-4,7-9H,2,5-6,10-11H2,1H3
InChIKeyIYNBTRBFUGFKQN-UHFFFAOYSA-N
MW1598.71 g/mol
LogP13.05
Rot. Bonds21

About 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one

4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one (PubChem CID 158843287) has the molecular formula C64H59Cl5F9N13O9S3 and a molecular weight of 1598.71 g/mol. Its IUPAC name is 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
PubChem CID158843287
Molecular FormulaC64H59Cl5F9N13O9S3
Molecular Weight1598.71 g/mol
Exact Mass1595.20
IUPAC Name4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(C(F)(F)F)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)nc2cc(Cl)ccc21
InChIInChI=1S/C23H22ClF3N4O3S.C21H19Cl2F3N4O3S.C20H18Cl2F3N5O3S/c1-35(33,34)11-3-10-29-18-9-6-14(24)12-17(18)28-20(29)13-30-19-5-2-4-16(23(25,26)27)21(19)31(22(30)32)15-7-8-15;1-34(32,33)9-3-8-28-16-7-6-13(22)10-15(16)27-18(28)11-29-17-5-2-4-14(23)19(17)30(20(29)31)12-21(24,25)26;1-34(32,33)6-2-5-28-15-4-3-12(21)7-14(15)27-17(28)10-29-16-9-26-8-13(22)18(16)30(19(29)31)11-20(23,24)25/h2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;2,4-7,10H,3,8-9,11-12H2,1H3;3-4,7-9H,2,5-6,10-11H2,1H3
InChIKeyIYNBTRBFUGFKQN-UHFFFAOYSA-N
XLogP13.05
TPSA249.56 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.71
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one with MolForge

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Related Compounds

4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;4-chloro-1-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-7-methyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
CID 159776867
7-Chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 159829929
7-Chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
CID 160072221
4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one
CID 157534411
4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 159276060
1-Tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
CID 160536196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one?
The IUPAC name of 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one (CID 158843287) is 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one.
What is the SMILES notation for 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one?
The canonical SMILES for 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(C(F)(F)F)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)nc2cc(Cl)ccc21.
What is the InChIKey of 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one?
The InChIKey is IYNBTRBFUGFKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O3S.C21H19Cl2F3N4O3S.C20H18Cl2F3N5O3S/c1-35(33,34)11-3-10-29-18-9-6-14(24)12-17(18)28-20(29)13-30-19-5-2-4-16(23(25,26)27)21(19)31(22(30)32)15-7-8-15;1-34(32,33)9-3-8-28-16-7-6-13(22)10-15(16)27-18(28)11-29-17-5-2-4-14(23)19(17)30(20(29)31)12-21(24,25)26;1-34(32,33)6-2-5-28-15-4-3-12(21)7-14(15)27-17(28)10-29-16-9-26-8-13(22)18(16)30(19(29)31)11-20(23,24)25/h2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;2,4-7,10H,3,8-9,11-12H2,1H3;3-4,7-9H,2,5-6,10-11H2,1H3.
What are the key properties of 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one?
4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one has a molecular weight of 1598.71 g/mol, XLogP of 13.05, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one is sourced from PubChem (CID 158843287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).