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

C161H112ClF4N17O19S2 — CID 158073876

About 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

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 (PubChem CID 158073876) has the molecular formula C161H112ClF4N17O19S2 and a molecular weight of 2764.35 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158073876
• Molecular Formula: C161H112ClF4N17O19S2
• Molecular Weight: 2764.35 g/mol
• Exact Mass: 2761.74
• IUPAC Name: 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
• SMILES: Cc1cc(C(=O)O)c2nc(-c3cc(-c4ccccc4)cs3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(F)c4F)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cn3)[nH]c2c1.O=C(O)c1cc(Cl)cc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)nc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Nc4ccccc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)nc12
• InChI: InChI=1S/C22H15ClO2.C21H14F2N2O2.C20H12F2N2O3.2C20H15N3O2.C20H14N2O4S.C19H13N3O2.C19H14N2O2S/c23-19-11-18-10-17(12-20(18)21(13-19)22(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-11-9-15(21(26)27)19-17(10-11)24-20(25-19)13-7-5-12(6-8-13)14-3-2-4-16(22)18(14)23;21-14-4-2-5-15(22)18(14)27-12-9-7-11(8-10-12)19-23-16-6-1-3-13(20(25)26)17(16)24-19;1-12-9-15(20(24)25)18-17(10-12)22-19(23-18)16-8-7-14(11-21-16)13-5-3-2-4-6-13;24-20(25)16-7-4-8-17-18(16)23-19(22-17)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14;23-20(24)16-7-4-8-17-18(16)22-19(21-17)13-9-11-15(12-10-13)27(25,26)14-5-2-1-3-6-14;23-19(24)14-7-4-8-16-17(14)22-18(21-16)13-9-10-15(20-11-13)12-5-2-1-3-6-12;1-11-7-14(19(22)23)17-15(8-11)20-18(21-17)16-9-13(10-24-16)12-5-3-2-4-6-12/h1-11,13H,12H2,(H,24,25);2-10H,1H3,(H,24,25)(H,26,27);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-12,21H,(H,22,23)(H,24,25);1-12H,(H,21,22)(H,23,24);1-11H,(H,21,22)(H,23,24);2-10H,1H3,(H,20,21)(H,22,23)
• InChIKey: FMDFULZHJJHMOO-UHFFFAOYSA-N
• XLogP: 37.67
• TPSA: 580.34 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2764.35
LogP ≤ 5	37.67
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(C(=O)O)c2nc(-c3cc(-c4ccccc4)cs3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(F)c4F)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cn3)[nH]c2c1.O=C(O)c1cc(Cl)cc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)nc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Nc4ccccc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)nc12.

What is the InChIKey of 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?

The InChIKey is FMDFULZHJJHMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO2.C21H14F2N2O2.C20H12F2N2O3.2C20H15N3O2.C20H14N2O4S.C19H13N3O2.C19H14N2O2S/c23-19-11-18-10-17(12-20(18)21(13-19)22(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-11-9-15(21(26)27)19-17(10-11)24-20(25-19)13-7-5-12(6-8-13)14-3-2-4-16(22)18(14)23;21-14-4-2-5-15(22)18(14)27-12-9-7-11(8-10-12)19-23-16-6-1-3-13(20(25)26)17(16)24-19;1-12-9-15(20(24)25)18-17(10-12)22-19(23-18)16-8-7-14(11-21-16)13-5-3-2-4-6-13;24-20(25)16-7-4-8-17-18(16)23-19(22-17)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14;23-20(24)16-7-4-8-17-18(16)22-19(21-17)13-9-11-15(12-10-13)27(25,26)14-5-2-1-3-6-14;23-19(24)14-7-4-8-16-17(14)22-18(21-16)13-9-10-15(20-11-13)12-5-2-1-3-6-12;1-11-7-14(19(22)23)17-15(8-11)20-18(21-17)16-9-13(10-24-16)12-5-3-2-4-6-12/h1-11,13H,12H2,(H,24,25);2-10H,1H3,(H,24,25)(H,26,27);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-12,21H,(H,22,23)(H,24,25);1-12H,(H,21,22)(H,23,24);1-11H,(H,21,22)(H,23,24);2-10H,1H3,(H,20,21)(H,22,23).

What are the key properties of 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?

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 has a molecular weight of 2764.35 g/mol, XLogP of 37.67, 27 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158073876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).