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

C88H92Cl6N18O12S4 — CID 159276060

IUPAC4-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
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)nc2cc(Cl)ccc21.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O.Cc1cncc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O
InChIInChI=1S/C23H25ClN4O3S.C22H22Cl2N4O3S.C22H24ClN5O3S.C21H21Cl2N5O3S/c1-15-5-3-6-20-22(15)28(17-8-9-17)23(29)27(20)14-21-25-18-13-16(24)7-10-19(18)26(21)11-4-12-32(2,30)31;1-32(30,31)11-3-10-26-18-9-6-14(23)12-17(18)25-20(26)13-27-19-5-2-4-16(24)21(19)28(22(27)29)15-7-8-15;1-14-11-24-12-19-21(14)28(16-5-6-16)22(29)27(19)13-20-25-17-10-15(23)4-7-18(17)26(20)8-3-9-32(2,30)31;1-32(30,31)8-2-7-26-17-6-3-13(22)9-16(17)25-19(26)12-27-18-11-24-10-15(23)20(18)28(21(27)29)14-4-5-14/h3,5-7,10,13,17H,4,8-9,11-12,14H2,1-2H3;2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;4,7,10-12,16H,3,5-6,8-9,13H2,1-2H3;3,6,9-11,14H,2,4-5,7-8,12H2,1H3
InChIKeyKYIBLZFQUXTSPK-UHFFFAOYSA-N
MW1934.80 g/mol
LogP15.21
Rot. Bonds28

About 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

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 (PubChem CID 159276060) has the molecular formula C88H92Cl6N18O12S4 and a molecular weight of 1934.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159276060
Molecular FormulaC88H92Cl6N18O12S4
Molecular Weight1934.80 g/mol
Exact Mass1930.42
IUPAC Name4-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
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)nc2cc(Cl)ccc21.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O.Cc1cncc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O
InChIInChI=1S/C23H25ClN4O3S.C22H22Cl2N4O3S.C22H24ClN5O3S.C21H21Cl2N5O3S/c1-15-5-3-6-20-22(15)28(17-8-9-17)23(29)27(20)14-21-25-18-13-16(24)7-10-19(18)26(21)11-4-12-32(2,30)31;1-32(30,31)11-3-10-26-18-9-6-14(23)12-17(18)25-20(26)13-27-19-5-2-4-16(24)21(19)28(22(27)29)15-7-8-15;1-14-11-24-12-19-21(14)28(16-5-6-16)22(29)27(19)13-20-25-17-10-15(23)4-7-18(17)26(20)8-3-9-32(2,30)31;1-32(30,31)8-2-7-26-17-6-3-13(22)9-16(17)25-19(26)12-27-18-11-24-10-15(23)20(18)28(21(27)29)14-4-5-14/h3,5-7,10,13,17H,4,8-9,11-12,14H2,1-2H3;2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;4,7,10-12,16H,3,5-6,8-9,13H2,1-2H3;3,6,9-11,14H,2,4-5,7-8,12H2,1H3
InChIKeyKYIBLZFQUXTSPK-UHFFFAOYSA-N
XLogP15.21
TPSA341.34 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.80
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

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
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
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
7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane
CID 161355589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)nc2cc(Cl)ccc21.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O.Cc1cncc2c1n(C1CC1)c(=O)n2Cc1nc2cc(Cl)ccc2n1CCCS(C)(=O)=O.
What is the InChIKey of 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?
The InChIKey is KYIBLZFQUXTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S.C22H22Cl2N4O3S.C22H24ClN5O3S.C21H21Cl2N5O3S/c1-15-5-3-6-20-22(15)28(17-8-9-17)23(29)27(20)14-21-25-18-13-16(24)7-10-19(18)26(21)11-4-12-32(2,30)31;1-32(30,31)11-3-10-26-18-9-6-14(23)12-17(18)25-20(26)13-27-19-5-2-4-16(24)21(19)28(22(27)29)15-7-8-15;1-14-11-24-12-19-21(14)28(16-5-6-16)22(29)27(19)13-20-25-17-10-15(23)4-7-18(17)26(20)8-3-9-32(2,30)31;1-32(30,31)8-2-7-26-17-6-3-13(22)9-16(17)25-19(26)12-27-18-11-24-10-15(23)20(18)28(21(27)29)14-4-5-14/h3,5-7,10,13,17H,4,8-9,11-12,14H2,1-2H3;2,4-6,9,12,15H,3,7-8,10-11,13H2,1H3;4,7,10-12,16H,3,5-6,8-9,13H2,1-2H3;3,6,9-11,14H,2,4-5,7-8,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1934.80 g/mol, XLogP of 15.21, 28 rotatable bonds, 0 hydrogen bond donors, and 30 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-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 is sourced from PubChem (CID 159276060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).