lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide

C93H91ClF3LiN12O16 — CID 157359739

IUPAClithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide
SMILESC.COCCn1c(Cc2ccc(-c3cccc(Cl)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)OC)cc21.COc1cnccc1CO.[Li+].[OH-]
InChIInChI=1S/C31H29FN4O5.C30H27FN4O5.C24H21ClFN3O3.C7H9NO2.CH4.Li.H2O/c1-38-14-13-36-27-17-21(31(37)40-3)8-10-26(27)34-29(36)16-20-7-9-23(24(32)15-20)25-5-4-6-30(35-25)41-19-22-11-12-33-18-28(22)39-2;1-38-13-12-35-26-16-20(30(36)37)7-9-25(26)33-28(35)15-19-6-8-22(23(31)14-19)24-4-3-5-29(34-24)40-18-21-10-11-32-17-27(21)39-2;1-31-11-10-29-21-13-17(24(30)32-2)8-9-20(21)28-23(29)14-15-6-7-16(12-18(15)26)19-4-3-5-22(25)27-19;1-10-7-4-8-3-2-6(7)5-9;;;/h4-12,15,17-18H,13-14,16,19H2,1-3H3;3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,36,37);3-9,12-13H,10-11,14H2,1-2H3;2-4,9H,5H2,1H3;1H4;;1H2/q;;;;;+1;/p-1
InChIKeyBIMMZKNOYFUIBE-UHFFFAOYSA-M
MW1732.21 g/mol
LogP13.36
Rot. Bonds31

About lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide

lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide (PubChem CID 157359739) has the molecular formula C93H91ClF3LiN12O16 and a molecular weight of 1732.21 g/mol. Its IUPAC name is lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide
PubChem CID157359739
Molecular FormulaC93H91ClF3LiN12O16
Molecular Weight1732.21 g/mol
Exact Mass1730.65
IUPAC Namelithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide
SMILESC.COCCn1c(Cc2ccc(-c3cccc(Cl)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)OC)cc21.COc1cnccc1CO.[Li+].[OH-]
InChIInChI=1S/C31H29FN4O5.C30H27FN4O5.C24H21ClFN3O3.C7H9NO2.CH4.Li.H2O/c1-38-14-13-36-27-17-21(31(37)40-3)8-10-26(27)34-29(36)16-20-7-9-23(24(32)15-20)25-5-4-6-30(35-25)41-19-22-11-12-33-18-28(22)39-2;1-38-13-12-35-26-16-20(30(36)37)7-9-25(26)33-28(35)15-19-6-8-22(23(31)14-19)24-4-3-5-29(34-24)40-18-21-10-11-32-17-27(21)39-2;1-31-11-10-29-21-13-17(24(30)32-2)8-9-20(21)28-23(29)14-15-6-7-16(12-18(15)26)19-4-3-5-22(25)27-19;1-10-7-4-8-3-2-6(7)5-9;;;/h4-12,15,17-18H,13-14,16,19H2,1-3H3;3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,36,37);3-9,12-13H,10-11,14H2,1-2H3;2-4,9H,5H2,1H3;1H4;;1H2/q;;;;;+1;/p-1
InChIKeyBIMMZKNOYFUIBE-UHFFFAOYSA-M
XLogP13.36
TPSA344.77 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.21
LogP ≤ 513.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide 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

2-[4-[[3-(4-Chlorophenyl)-2-pyridyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845265
US10208019, Example 11A-70
CID 134611057
US10208019, Example 10A-36
CID 134611070
US10208019, Example 10A-45
CID 134611098
US10208019, Example 10A-02
CID 134611149
US10208019, Example 10A-67
CID 134611164
US10208019, Example 10A-01
CID 134611028
US10208019, Example 10A-73
CID 134611078
US10208019, Example 10A-16
CID 134611100
US10208019, Example 10A-42
CID 134611118
US10208019, Example 10A-30
CID 139208564
US10208019, Example 10A-38
CID 139208565

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide?
The IUPAC name of lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide (CID 157359739) is lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide.
What is the SMILES notation for lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide?
The canonical SMILES for lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide is C.COCCn1c(Cc2ccc(-c3cccc(Cl)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccncc4OC)n3)c(F)c2)nc2ccc(C(=O)OC)cc21.COc1cnccc1CO.[Li+].[OH-].
What is the InChIKey of lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide?
The InChIKey is BIMMZKNOYFUIBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H29FN4O5.C30H27FN4O5.C24H21ClFN3O3.C7H9NO2.CH4.Li.H2O/c1-38-14-13-36-27-17-21(31(37)40-3)8-10-26(27)34-29(36)16-20-7-9-23(24(32)15-20)25-5-4-6-30(35-25)41-19-22-11-12-33-18-28(22)39-2;1-38-13-12-35-26-16-20(30(36)37)7-9-25(26)33-28(35)15-19-6-8-22(23(31)14-19)24-4-3-5-29(34-24)40-18-21-10-11-32-17-27(21)39-2;1-31-11-10-29-21-13-17(24(30)32-2)8-9-20(21)28-23(29)14-15-6-7-16(12-18(15)26)19-4-3-5-22(25)27-19;1-10-7-4-8-3-2-6(7)5-9;;;/h4-12,15,17-18H,13-14,16,19H2,1-3H3;3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,36,37);3-9,12-13H,10-11,14H2,1-2H3;2-4,9H,5H2,1H3;1H4;;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide?
lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide has a molecular weight of 1732.21 g/mol, XLogP of 13.36, 31 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methane;(3-methoxy-4-pyridinyl)methanol;methyl 2-[[4-(6-chloro-2-pyridinyl)-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[3-fluoro-4-[6-[(3-methoxy-4-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide is sourced from PubChem (CID 157359739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).