2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole

C164H110Cl2F11N17O15S — CID 162131907

IUPAC2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)cc(-c4ccccc4)cc3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c[nH]c3ccccc13)=N2.FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12
InChIInChI=1S/C22H15N3O2S.C22H18N2O3.C21H12F4N2O2.C21H14F2N2O2.2C20H12ClFN2O2.C20H13F3N2.C18H14N2O2/c1-12-10-15(22(26)27)19-17(11-12)23-20(25-19)13-6-8-14(9-7-13)21-24-16-4-2-3-5-18(16)28-21;1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14;1-9-7-11(21(28)29)19-12(8-9)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10;1-11-7-14(21(26)27)19-17(8-11)24-20(25-19)18-15(22)9-13(10-16(18)23)12-5-3-2-4-6-12;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)12-7-5-11(6-8-12)14-3-1-2-4-16(14)22;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11;21-20(22,23)16-7-4-8-17-18(16)25-19(24-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13;1-10-6-13(18(21)22)12-8-17(20-16(12)7-10)14-9-19-15-5-3-2-4-11(14)15/h2-11H,1H3,(H,23,25)(H,26,27);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,26,27)(H,28,29);2-10H,1H3,(H,24,25)(H,26,27);2*1-10H,(H,23,24)(H,25,26);1-12H,(H,24,25);2-7,9,19H,8H2,1H3,(H,21,22)
InChIKeyZITSHPHEYKYAFO-UHFFFAOYSA-N
MW2870.74 g/mol
LogP41.61
Rot. Bonds23

About 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole

2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 162131907) has the molecular formula C164H110Cl2F11N17O15S and a molecular weight of 2870.74 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID162131907
Molecular FormulaC164H110Cl2F11N17O15S
Molecular Weight2870.74 g/mol
Exact Mass2867.73
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)cc(-c4ccccc4)cc3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c[nH]c3ccccc13)=N2.FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12
InChIInChI=1S/C22H15N3O2S.C22H18N2O3.C21H12F4N2O2.C21H14F2N2O2.2C20H12ClFN2O2.C20H13F3N2.C18H14N2O2/c1-12-10-15(22(26)27)19-17(11-12)23-20(25-19)13-6-8-14(9-7-13)21-24-16-4-2-3-5-18(16)28-21;1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14;1-9-7-11(21(28)29)19-12(8-9)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10;1-11-7-14(21(26)27)19-17(8-11)24-20(25-19)18-15(22)9-13(10-16(18)23)12-5-3-2-4-6-12;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)12-7-5-11(6-8-12)14-3-1-2-4-16(14)22;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11;21-20(22,23)16-7-4-8-17-18(16)25-19(24-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13;1-10-6-13(18(21)22)12-8-17(20-16(12)7-10)14-9-19-15-5-3-2-4-11(14)15/h2-11H,1H3,(H,23,25)(H,26,27);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,26,27)(H,28,29);2-10H,1H3,(H,24,25)(H,26,27);2*1-10H,(H,23,24)(H,25,26);1-12H,(H,24,25);2-7,9,19H,8H2,1H3,(H,21,22)
InChIKeyZITSHPHEYKYAFO-UHFFFAOYSA-N
XLogP41.61
TPSA512.13 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002870.74
LogP ≤ 541.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole 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-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 159379483
2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 161249021
2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 161393804
2-(4-anilinophenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(benzenesulfonyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(5-phenyl-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-(6-phenyl-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 158073876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole (CID 162131907) is 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole is COc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)cc(-c4ccccc4)cc3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c[nH]c3ccccc13)=N2.FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12.O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is ZITSHPHEYKYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S.C22H18N2O3.C21H12F4N2O2.C21H14F2N2O2.2C20H12ClFN2O2.C20H13F3N2.C18H14N2O2/c1-12-10-15(22(26)27)19-17(11-12)23-20(25-19)13-6-8-14(9-7-13)21-24-16-4-2-3-5-18(16)28-21;1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14;1-9-7-11(21(28)29)19-12(8-9)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10;1-11-7-14(21(26)27)19-17(8-11)24-20(25-19)18-15(22)9-13(10-16(18)23)12-5-3-2-4-6-12;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)12-7-5-11(6-8-12)14-3-1-2-4-16(14)22;21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11;21-20(22,23)16-7-4-8-17-18(16)25-19(24-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13;1-10-6-13(18(21)22)12-8-17(20-16(12)7-10)14-9-19-15-5-3-2-4-11(14)15/h2-11H,1H3,(H,23,25)(H,26,27);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,26,27)(H,28,29);2-10H,1H3,(H,24,25)(H,26,27);2*1-10H,(H,23,24)(H,25,26);1-12H,(H,24,25);2-7,9,19H,8H2,1H3,(H,21,22).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole?
2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 2870.74 g/mol, XLogP of 41.61, 23 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,6-difluoro-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;2-(1H-indol-3-yl)-6-methyl-3H-indole-4-carboxylic acid;2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 162131907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).