lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide

C126H130BBr7Cl3F15LiN19O30 — CID 159605439

IUPAClithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide
SMILESBrBr.C1CCOC1.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(-c3cncnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21.CC(C)n1cnc2cc(C(=O)O)c(F)c(Br)c21.COC(=O)c1cc(N)c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)cc1F.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc2ncn(C(C)C)c2c(Br)c1F.COC(OC)OC.Nc1ccc(OC(F)(F)Cl)cc1.OB(O)c1cncnc1.[Li+].[OH-]
InChIInChI=1S/C22H17ClF3N5O2.C18H14BrClF3N3O2.C12H12BrFN2O2.C12H13BrFNO4.C12H15BrFNO2.C12H14FNO4.C11H10BrFN2O2.C8H5F2NO4.C7H6ClF2NO.C4H5BN2O2.C4H10O3.C4H8O.Br2.Li.H2O/c1-12(2)31-11-29-17-7-16(19(24)18(20(17)31)13-8-27-10-28-9-13)21(32)30-14-3-5-15(6-4-14)33-22(23,25)26;1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23;1-6(2)16-5-15-8-4-7(12(17)18-3)10(14)9(13)11(8)16;1-6(2)4-7-9(15(17)18)5-8(12(16)19-3)11(14)10(7)13;1-6(2)4-7-9(15)5-8(12(16)17-3)11(14)10(7)13;1-7(2)4-8-5-10(13)9(12(15)18-3)6-11(8)14(16)17;1-5(2)15-4-14-7-3-6(11(16)17)9(13)8(12)10(7)15;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;8-7(9,10)12-6-3-1-5(11)2-4-6;8-5(9)4-1-6-3-7-2-4;1-5-4(6-2)7-3;1-2-4-5-3-1;1-2;;/h3-12H,1-2H3,(H,30,32);3-9H,1-2H3,(H,25,27);4-6H,1-3H3;5-6H,4H2,1-3H3;5-6H,4,15H2,1-3H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,16,17);2-3H,1H3;1-4H,11H2;1-3,8-9H;4H,1-3H3;1-4H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1
InChIKeyMMAGDPSHZVXDDB-UHFFFAOYSA-M
MW3358.94 g/mol
LogP29.23
Rot. Bonds34

About lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide

lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide (PubChem CID 159605439) has the molecular formula C126H130BBr7Cl3F15LiN19O30 and a molecular weight of 3358.94 g/mol. Its IUPAC name is lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide.

Molecular Properties

Compound Namelithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide
PubChem CID159605439
Molecular FormulaC126H130BBr7Cl3F15LiN19O30
Molecular Weight3358.94 g/mol
Exact Mass3349.26
IUPAC Namelithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide
SMILESBrBr.C1CCOC1.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(-c3cncnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21.CC(C)n1cnc2cc(C(=O)O)c(F)c(Br)c21.COC(=O)c1cc(N)c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)cc1F.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc2ncn(C(C)C)c2c(Br)c1F.COC(OC)OC.Nc1ccc(OC(F)(F)Cl)cc1.OB(O)c1cncnc1.[Li+].[OH-]
InChIInChI=1S/C22H17ClF3N5O2.C18H14BrClF3N3O2.C12H12BrFN2O2.C12H13BrFNO4.C12H15BrFNO2.C12H14FNO4.C11H10BrFN2O2.C8H5F2NO4.C7H6ClF2NO.C4H5BN2O2.C4H10O3.C4H8O.Br2.Li.H2O/c1-12(2)31-11-29-17-7-16(19(24)18(20(17)31)13-8-27-10-28-9-13)21(32)30-14-3-5-15(6-4-14)33-22(23,25)26;1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23;1-6(2)16-5-15-8-4-7(12(17)18-3)10(14)9(13)11(8)16;1-6(2)4-7-9(15(17)18)5-8(12(16)19-3)11(14)10(7)13;1-6(2)4-7-9(15)5-8(12(16)17-3)11(14)10(7)13;1-7(2)4-8-5-10(13)9(12(15)18-3)6-11(8)14(16)17;1-5(2)15-4-14-7-3-6(11(16)17)9(13)8(12)10(7)15;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;8-7(9,10)12-6-3-1-5(11)2-4-6;8-5(9)4-1-6-3-7-2-4;1-5-4(6-2)7-3;1-2-4-5-3-1;1-2;;/h3-12H,1-2H3,(H,30,32);3-9H,1-2H3,(H,25,27);4-6H,1-3H3;5-6H,4H2,1-3H3;5-6H,4,15H2,1-3H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,16,17);2-3H,1H3;1-4H,11H2;1-3,8-9H;4H,1-3H3;1-4H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1
InChIKeyMMAGDPSHZVXDDB-UHFFFAOYSA-M
XLogP29.23
TPSA666.37 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003358.94
LogP ≤ 529.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;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

lithium;1-(3-amino-5-bromo-4-piperidin-1-ylphenyl)ethanone;9-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;9-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid;1-(9-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)ethanone;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;deuterio(fluoro)methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide
CID 157776596
lithium;(4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(hydroxymethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-6-bromo-4-(hydroxymethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(hydroxymethyl)-6-(1H-pyrazol-5-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;methyl (4R)-6-bromo-4-(hydroxymethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate;methyl (4R)-6-bromo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide
CID 158583174
CID 158624048
CID 158624048
CID 158725637
CID 158725637
acetic acid;3-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-fluoro-5-nitrobenzamide;3-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-5-nitrobenzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-3-nitro-5-(1H-pyrazol-5-yl)benzamide;(2S)-N-[4-[chloro(difluoro)methoxy]phenyl]-2-hydroxy-2-methyl-9-(1H-pyrazol-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]benzimidazole-7-carboxamide;iron;(3S)-3-methylpiperidin-3-ol;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 158839782
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxamide;7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;1-(3,4-diamino-5-bromophenyl)ethanone;2,2-difluoroacetic acid;methane;methyl 7-bromo-2-(difluoromethyl)-3H-benzimidazole-5-carboxylate;methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate;pyrimidin-5-ylboronic acid;hydroxide;hydrate
CID 159895697
CID 160127080
CID 160127080
3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(propan-2-ylamino)benzamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid;tetramethoxymethane
CID 160148912
CID 161056590
CID 161056590
acetic acid;3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(methylamino)benzamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 3-[3-bromo-5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-2-(methylamino)anilino]-3-oxopropanoate;methyl 2-[7-bromo-5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-1-methylbenzimidazol-2-yl]acetate;methyl 3-chloro-3-oxopropanoate;pyrimidin-5-ylboronic acid
CID 161062125
CID 161080654
CID 161080654
CID 161189819
CID 161189819

Frequently Asked Questions

What is the IUPAC name of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide?
The IUPAC name of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide (CID 159605439) is lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide.
What is the SMILES notation for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide?
The canonical SMILES for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide is BrBr.C1CCOC1.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(-c3cncnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21.CC(C)n1cnc2cc(C(=O)O)c(F)c(Br)c21.COC(=O)c1cc(N)c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)c(Br)c1F.COC(=O)c1cc([N+](=O)[O-])c(CC(C)C)cc1F.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc2ncn(C(C)C)c2c(Br)c1F.COC(OC)OC.Nc1ccc(OC(F)(F)Cl)cc1.OB(O)c1cncnc1.[Li+].[OH-].
What is the InChIKey of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide?
The InChIKey is MMAGDPSHZVXDDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17ClF3N5O2.C18H14BrClF3N3O2.C12H12BrFN2O2.C12H13BrFNO4.C12H15BrFNO2.C12H14FNO4.C11H10BrFN2O2.C8H5F2NO4.C7H6ClF2NO.C4H5BN2O2.C4H10O3.C4H8O.Br2.Li.H2O/c1-12(2)31-11-29-17-7-16(19(24)18(20(17)31)13-8-27-10-28-9-13)21(32)30-14-3-5-15(6-4-14)33-22(23,25)26;1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23;1-6(2)16-5-15-8-4-7(12(17)18-3)10(14)9(13)11(8)16;1-6(2)4-7-9(15(17)18)5-8(12(16)19-3)11(14)10(7)13;1-6(2)4-7-9(15)5-8(12(16)17-3)11(14)10(7)13;1-7(2)4-8-5-10(13)9(12(15)18-3)6-11(8)14(16)17;1-5(2)15-4-14-7-3-6(11(16)17)9(13)8(12)10(7)15;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;8-7(9,10)12-6-3-1-5(11)2-4-6;8-5(9)4-1-6-3-7-2-4;1-5-4(6-2)7-3;1-2-4-5-3-1;1-2;;/h3-12H,1-2H3,(H,30,32);3-9H,1-2H3,(H,25,27);4-6H,1-3H3;5-6H,4H2,1-3H3;5-6H,4,15H2,1-3H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,16,17);2-3H,1H3;1-4H,11H2;1-3,8-9H;4H,1-3H3;1-4H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide?
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide has a molecular weight of 3358.94 g/mol, XLogP of 29.23, 34 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 5-amino-3-bromo-2-fluoro-4-(2-methylpropyl)benzoate;methyl 3-bromo-2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;methyl 7-bromo-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxylate;methyl 2,4-difluoro-5-nitrobenzoate;methyl 2-fluoro-4-(2-methylpropyl)-5-nitrobenzoate;molecular bromine;oxolane;pyrimidin-5-ylboronic acid;trimethoxymethane;hydroxide is sourced from PubChem (CID 159605439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).