2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate

C116H108Br6Cl4F6N16O23S6 — CID 158206967

IUPAC2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(ncn2CCS(C)(=O)=O)c(F)c1Cc1ccc(Br)cc1C.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(-c3nnc(N)o3)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)CN)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)COCCO)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)O)cc21.Cc1cc(Br)ccc1Cc1c(C(=O)O)cc2c(ncn2CCS(C)(=O)=O)c1F
InChIInChI=1S/C21H21BrClFN2O5S.C20H20BrFN2O4S.C19H16BrClFN5O3S.C19H18BrClFN3O3S.C19H18BrFN2O4S.C18H15BrClFN2O4S/c1-32(29,30)7-4-26-12-25-21-18(26)10-15(19(28)11-31-6-5-27)16(20(21)24)8-13-2-3-14(22)9-17(13)23;1-12-8-14(21)5-4-13(12)9-15-16(20(25)28-2)10-17-19(18(15)22)23-11-24(17)6-7-29(3,26)27;1-31(28,29)5-4-27-9-24-17-15(27)8-13(18-25-26-19(23)30-18)12(16(17)22)6-10-2-3-11(20)7-14(10)21;1-29(27,28)5-4-25-10-24-19-16(25)8-13(17(26)9-23)14(18(19)22)6-11-2-3-12(20)7-15(11)21;1-11-7-13(20)4-3-12(11)8-14-15(19(24)25)9-16-18(17(14)21)22-10-23(16)5-6-28(2,26)27;1-28(26,27)5-4-23-9-22-17-15(23)8-13(18(24)25)12(16(17)21)6-10-2-3-11(19)7-14(10)20/h2-3,9-10,12,27H,4-8,11H2,1H3;4-5,8,10-11H,6-7,9H2,1-3H3;2-3,7-9H,4-6H2,1H3,(H2,23,26);2-3,7-8,10H,4-6,9,23H2,1H3;3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,25);2-3,7-9H,4-6H2,1H3,(H,24,25)
InChIKeyGBPOODYOMUVSOT-UHFFFAOYSA-N
MW3021.85 g/mol
LogP21.82
Rot. Bonds41

About 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate

2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate (PubChem CID 158206967) has the molecular formula C116H108Br6Cl4F6N16O23S6 and a molecular weight of 3021.85 g/mol. Its IUPAC name is 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Name2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate
PubChem CID158206967
Molecular FormulaC116H108Br6Cl4F6N16O23S6
Molecular Weight3021.85 g/mol
Exact Mass3011.99
IUPAC Name2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(ncn2CCS(C)(=O)=O)c(F)c1Cc1ccc(Br)cc1C.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(-c3nnc(N)o3)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)CN)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)COCCO)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)O)cc21.Cc1cc(Br)ccc1Cc1c(C(=O)O)cc2c(ncn2CCS(C)(=O)=O)c1F
InChIInChI=1S/C21H21BrClFN2O5S.C20H20BrFN2O4S.C19H16BrClFN5O3S.C19H18BrClFN3O3S.C19H18BrFN2O4S.C18H15BrClFN2O4S/c1-32(29,30)7-4-26-12-25-21-18(26)10-15(19(28)11-31-6-5-27)16(20(21)24)8-13-2-3-14(22)9-17(13)23;1-12-8-14(21)5-4-13(12)9-15-16(20(25)28-2)10-17-19(18(15)22)23-11-24(17)6-7-29(3,26)27;1-31(28,29)5-4-27-9-24-17-15(27)8-13(18-25-26-19(23)30-18)12(16(17)22)6-10-2-3-11(20)7-14(10)21;1-29(27,28)5-4-25-10-24-19-16(25)8-13(17(26)9-23)14(18(19)22)6-11-2-3-12(20)7-15(11)21;1-11-7-13(20)4-3-12(11)8-14-15(19(24)25)9-16-18(17(14)21)22-10-23(16)5-6-28(2,26)27;1-28(26,27)5-4-23-9-22-17-15(23)8-13(18(24)25)12(16(17)21)6-10-2-3-11(19)7-14(10)20/h2-3,9-10,12,27H,4-8,11H2,1H3;4-5,8,10-11H,6-7,9H2,1-3H3;2-3,7-9H,4-6H2,1H3,(H2,23,26);2-3,7-8,10H,4-6,9,23H2,1H3;3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,25);2-3,7-9H,4-6H2,1H3,(H,24,25)
InChIKeyGBPOODYOMUVSOT-UHFFFAOYSA-N
XLogP21.82
TPSA567.22 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds41
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003021.85
LogP ≤ 521.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate with MolForge

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Related Compounds

6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid
CID 58324337
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 58324311
1-[3-[2-(benzenesulfonyl)ethyl]-6-[(4-bromo-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324338
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-morpholin-4-ylethoxy)ethanone
CID 58324213
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-but-3-enoxyethanone
CID 58324300
6-(4-bromo-2-chloroanilino)-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid
CID 11466009
1-[6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(3-piperidin-1-ylpropyl)benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324272
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxy-2-methylpropoxy)-3-methylbenzimidazole-5-carboxamide;1-[6-[(4-bromo-2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-7-fluorobenzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-methylsulfanylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-methylsulfonylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-phenylsulfanylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylpropyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 159676214
sodium;4-bromo-2-chloro-1-iodobenzene;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazole-5-carboxylate;methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
CID 161225692
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324344
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-ethoxyethanone
CID 58324308
6-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
CID 148792265

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate?
The IUPAC name of 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate (CID 158206967) is 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate?
The canonical SMILES for 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate is COC(=O)c1cc2c(ncn2CCS(C)(=O)=O)c(F)c1Cc1ccc(Br)cc1C.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(-c3nnc(N)o3)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)CN)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)COCCO)cc21.CS(=O)(=O)CCn1cnc2c(F)c(Cc3ccc(Br)cc3Cl)c(C(=O)O)cc21.Cc1cc(Br)ccc1Cc1c(C(=O)O)cc2c(ncn2CCS(C)(=O)=O)c1F.
What is the InChIKey of 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate?
The InChIKey is GBPOODYOMUVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClFN2O5S.C20H20BrFN2O4S.C19H16BrClFN5O3S.C19H18BrClFN3O3S.C19H18BrFN2O4S.C18H15BrClFN2O4S/c1-32(29,30)7-4-26-12-25-21-18(26)10-15(19(28)11-31-6-5-27)16(20(21)24)8-13-2-3-14(22)9-17(13)23;1-12-8-14(21)5-4-13(12)9-15-16(20(25)28-2)10-17-19(18(15)22)23-11-24(17)6-7-29(3,26)27;1-31(28,29)5-4-27-9-24-17-15(27)8-13(18-25-26-19(23)30-18)12(16(17)22)6-10-2-3-11(20)7-14(10)21;1-29(27,28)5-4-25-10-24-19-16(25)8-13(17(26)9-23)14(18(19)22)6-11-2-3-12(20)7-15(11)21;1-11-7-13(20)4-3-12(11)8-14-15(19(24)25)9-16-18(17(14)21)22-10-23(16)5-6-28(2,26)27;1-28(26,27)5-4-23-9-22-17-15(23)8-13(18(24)25)12(16(17)21)6-10-2-3-11(19)7-14(10)20/h2-3,9-10,12,27H,4-8,11H2,1H3;4-5,8,10-11H,6-7,9H2,1-3H3;2-3,7-9H,4-6H2,1H3,(H2,23,26);2-3,7-8,10H,4-6,9,23H2,1H3;3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,25);2-3,7-9H,4-6H2,1H3,(H,24,25).
What are the key properties of 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate?
2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate has a molecular weight of 3021.85 g/mol, XLogP of 21.82, 41 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]ethanone;6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;5-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine;6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid;methyl 6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 158206967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).