dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide

C83H104Cl3IK2N10O12 — CID 157280771

IUPACdipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide
SMILESCCCC(CC(=O)O)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)[nH]c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.Cc1c(C)n(C)c2c(C[N+](C)(C)C)ccc(Cl)c12.O=CO[O-].[H-].[I-].[K+].[K+]
InChIInChI=1S/C27H32ClN3O3.C25H28ClN3O3.C15H22ClN2.C15H20N2O3.CH2O3.HI.2K.H/c1-6-10-20(15-24(32)34-7-2)31-23-12-9-8-11-22(23)30(27(31)33)16-19-13-14-21(28)25-17(3)18(4)29(5)26(19)25;1-5-8-18(13-22(30)31)29-21-10-7-6-9-20(21)28(25(29)32)14-17-11-12-19(26)23-15(2)16(3)27(4)24(17)23;1-10-11(2)17(3)15-12(9-18(4,5)6)7-8-13(16)14(10)15;1-3-7-11(10-14(18)20-4-2)17-13-9-6-5-8-12(13)16-15(17)19;2-1-4-3;;;;/h8-9,11-14,20H,6-7,10,15-16H2,1-5H3;6-7,9-12,18H,5,8,13-14H2,1-4H3,(H,30,31);7-8H,9H2,1-6H3;5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,19);1,3H;1H;;;/q;;+1;;;;2*+1;-1/p-2
InChIKeyOHJUZGVXSLIYLU-UHFFFAOYSA-L
MW1745.26 g/mol
LogP7.17
Rot. Bonds24

About dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide

dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide (PubChem CID 157280771) has the molecular formula C83H104Cl3IK2N10O12 and a molecular weight of 1745.26 g/mol. Its IUPAC name is dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide.

Molecular Properties

Compound Namedipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide
PubChem CID157280771
Molecular FormulaC83H104Cl3IK2N10O12
Molecular Weight1745.26 g/mol
Exact Mass1742.52
IUPAC Namedipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide
SMILESCCCC(CC(=O)O)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)[nH]c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.Cc1c(C)n(C)c2c(C[N+](C)(C)C)ccc(Cl)c12.O=CO[O-].[H-].[I-].[K+].[K+]
InChIInChI=1S/C27H32ClN3O3.C25H28ClN3O3.C15H22ClN2.C15H20N2O3.CH2O3.HI.2K.H/c1-6-10-20(15-24(32)34-7-2)31-23-12-9-8-11-22(23)30(27(31)33)16-19-13-14-21(28)25-17(3)18(4)29(5)26(19)25;1-5-8-18(13-22(30)31)29-21-10-7-6-9-20(21)28(25(29)32)14-17-11-12-19(26)23-15(2)16(3)27(4)24(17)23;1-10-11(2)17(3)15-12(9-18(4,5)6)7-8-13(16)14(10)15;1-3-7-11(10-14(18)20-4-2)17-13-9-6-5-8-12(13)16-15(17)19;2-1-4-3;;;;/h8-9,11-14,20H,6-7,10,15-16H2,1-5H3;6-7,9-12,18H,5,8,13-14H2,1-4H3,(H,30,31);7-8H,9H2,1-6H3;5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,19);1,3H;1H;;;/q;;+1;;;;2*+1;-1/p-2
InChIKeyOHJUZGVXSLIYLU-UHFFFAOYSA-L
XLogP7.17
TPSA245.70 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.26
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide?
The IUPAC name of dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide (CID 157280771) is dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide.
What is the SMILES notation for dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide?
The canonical SMILES for dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide is CCCC(CC(=O)O)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)[nH]c2ccccc21.CCCC(CC(=O)OCC)n1c(=O)n(Cc2ccc(Cl)c3c(C)c(C)n(C)c23)c2ccccc21.Cc1c(C)n(C)c2c(C[N+](C)(C)C)ccc(Cl)c12.O=CO[O-].[H-].[I-].[K+].[K+].
What is the InChIKey of dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide?
The InChIKey is OHJUZGVXSLIYLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H32ClN3O3.C25H28ClN3O3.C15H22ClN2.C15H20N2O3.CH2O3.HI.2K.H/c1-6-10-20(15-24(32)34-7-2)31-23-12-9-8-11-22(23)30(27(31)33)16-19-13-14-21(28)25-17(3)18(4)29(5)26(19)25;1-5-8-18(13-22(30)31)29-21-10-7-6-9-20(21)28(25(29)32)14-17-11-12-19(26)23-15(2)16(3)27(4)24(17)23;1-10-11(2)17(3)15-12(9-18(4,5)6)7-8-13(16)14(10)15;1-3-7-11(10-14(18)20-4-2)17-13-9-6-5-8-12(13)16-15(17)19;2-1-4-3;;;;/h8-9,11-14,20H,6-7,10,15-16H2,1-5H3;6-7,9-12,18H,5,8,13-14H2,1-4H3,(H,30,31);7-8H,9H2,1-6H3;5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,19);1,3H;1H;;;/q;;+1;;;;2*+1;-1/p-2.
What are the key properties of dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide?
dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide has a molecular weight of 1745.26 g/mol, XLogP of 7.17, 24 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;(4-chloro-1,2,3-trimethylindol-7-yl)methyl-trimethylazanium;ethyl 3-[3-[(4-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;hydride;oxido formate;iodide is sourced from PubChem (CID 157280771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).