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

C88H81Cl7F12N14O10S3 — CID 159776867

IUPAC4-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
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)cc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)cc2cc(Cl)ccc21.Cc1cncc2c1n(CC(F)(F)F)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O.O=c1n(Cc2cc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cccc(Cl)c2n1CC(F)(F)F
InChIInChI=1S/C23H23Cl2N3O3S.C22H17Cl2F6N3O.C22H22ClF3N4O3S.C21H19Cl2F3N4O3S/c1-32(30,31)11-3-10-26-18(13-15-12-16(24)6-9-20(15)26)14-27-21-5-2-4-19(25)22(21)28(23(27)29)17-7-8-17;23-14-5-6-17-13(9-14)10-15(31(17)8-2-7-21(25,26)27)11-32-18-4-1-3-16(24)19(18)33(20(32)34)12-22(28,29)30;1-14-10-27-11-19-20(14)30(13-22(24,25)26)21(31)29(19)12-17-9-15-8-16(23)4-5-18(15)28(17)6-3-7-34(2,32)33;1-34(32,33)6-2-5-28-15(8-13-7-14(22)3-4-17(13)28)11-29-18-10-27-9-16(23)19(18)30(20(29)31)12-21(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3;1,3-6,9-10H,2,7-8,11-12H2;4-5,8-11H,3,6-7,12-13H2,1-2H3;3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyNGVWQACTPQIUDD-UHFFFAOYSA-N
MW2067.05 g/mol
LogP20.56
Rot. Bonds27

About 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

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 (PubChem CID 159776867) has the molecular formula C88H81Cl7F12N14O10S3 and a molecular weight of 2067.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159776867
Molecular FormulaC88H81Cl7F12N14O10S3
Molecular Weight2067.05 g/mol
Exact Mass2062.31
IUPAC Name4-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
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)cc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)cc2cc(Cl)ccc21.Cc1cncc2c1n(CC(F)(F)F)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O.O=c1n(Cc2cc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cccc(Cl)c2n1CC(F)(F)F
InChIInChI=1S/C23H23Cl2N3O3S.C22H17Cl2F6N3O.C22H22ClF3N4O3S.C21H19Cl2F3N4O3S/c1-32(30,31)11-3-10-26-18(13-15-12-16(24)6-9-20(15)26)14-27-21-5-2-4-19(25)22(21)28(23(27)29)17-7-8-17;23-14-5-6-17-13(9-14)10-15(31(17)8-2-7-21(25,26)27)11-32-18-4-1-3-16(24)19(18)33(20(32)34)12-22(28,29)30;1-14-10-27-11-19-20(14)30(13-22(24,25)26)21(31)29(19)12-17-9-15-8-16(23)4-5-18(15)28(17)6-3-7-34(2,32)33;1-34(32,33)6-2-5-28-15(8-13-7-14(22)3-4-17(13)28)11-29-18-10-27-9-16(23)19(18)30(20(29)31)12-21(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3;1,3-6,9-10H,2,7-8,11-12H2;4-5,8-11H,3,6-7,12-13H2,1-2H3;3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyNGVWQACTPQIUDD-UHFFFAOYSA-N
XLogP20.56
TPSA255.64 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.05
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;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;propane
CID 145014772
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)cc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3c(Cl)cncc32)cc2cc(Cl)ccc21.Cc1cncc2c1n(CC(F)(F)F)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O.O=c1n(Cc2cc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cccc(Cl)c2n1CC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NGVWQACTPQIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3S.C22H17Cl2F6N3O.C22H22ClF3N4O3S.C21H19Cl2F3N4O3S/c1-32(30,31)11-3-10-26-18(13-15-12-16(24)6-9-20(15)26)14-27-21-5-2-4-19(25)22(21)28(23(27)29)17-7-8-17;23-14-5-6-17-13(9-14)10-15(31(17)8-2-7-21(25,26)27)11-32-18-4-1-3-16(24)19(18)33(20(32)34)12-22(28,29)30;1-14-10-27-11-19-20(14)30(13-22(24,25)26)21(31)29(19)12-17-9-15-8-16(23)4-5-18(15)28(17)6-3-7-34(2,32)33;1-34(32,33)6-2-5-28-15(8-13-7-14(22)3-4-17(13)28)11-29-18-10-27-9-16(23)19(18)30(20(29)31)12-21(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3;1,3-6,9-10H,2,7-8,11-12H2;4-5,8-11H,3,6-7,12-13H2,1-2H3;3-4,7-10H,2,5-6,11-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2067.05 g/mol, XLogP of 20.56, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159776867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).