4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline

C112H76Cl8F14N26O3S — CID 158432614

About 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline

4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline (PubChem CID 158432614) has the molecular formula C112H76Cl8F14N26O3S and a molecular weight of 2415.68 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline
• PubChem CID: 158432614
• Molecular Formula: C112H76Cl8F14N26O3S
• Molecular Weight: 2415.68 g/mol
• Exact Mass: 2410.36
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline
• SMILES: C.Cc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Clc1ccc2ccc3cc4ccccc4nc3c2n1.Clc1cccc(-c2nc(Cl)co2)n1.Clc1nc(-c2nc3ccccc3[nH]2)cs1.Cn1cc(Cl)nc1-c1ccccn1.Cn1cc(Cl)nc1-c1nc(Cl)cn1C.Cn1cc(F)nc1-c1nc(F)cn1C.FC(F)(F)c1cc(-c2cccc(Cl)n2)nc2ccccc12.Fc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Fc1coc(-c2nc(F)co2)n1
• InChI: InChI=1S/C16H9ClN2.C16H11F3N2.C15H8ClF3N2.C15H8F4N2.C10H6ClN3S.C9H8ClN3.C8H8Cl2N4.C8H4Cl2N2O.C8H8F2N4.C6H2F2N2O2.CH4/c17-14-8-7-10-5-6-12-9-11-3-1-2-4-13(11)18-16(12)15(10)19-14;1-10-5-4-8-14(20-10)15-9-12(16(17,18)19)11-6-2-3-7-13(11)21-15;2*16-14-7-3-6-12(21-14)13-8-10(15(17,18)19)9-4-1-2-5-11(9)20-13;11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9;1-13-6-8(10)12-9(13)7-4-2-3-5-11-7;1-13-3-5(9)11-7(13)8-12-6(10)4-14(8)2;9-6-3-1-2-5(11-6)8-12-7(10)4-13-8;1-13-3-5(9)11-7(13)8-12-6(10)4-14(8)2;7-3-1-11-5(9-3)6-10-4(8)2-12-6;/h1-9H;2-9H,1H3;2*1-8H;1-5H,(H,12,13);2-6H,1H3;3-4H,1-2H3;1-4H;3-4H,1-2H3;1-2H;1H4
• InChIKey: HBVODDNATRXYGQ-UHFFFAOYSA-N
• XLogP: 32.63
• TPSA: 337.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 9
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.68
LogP ≤ 5	32.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline (CID 158432614) is 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline is C.Cc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Clc1ccc2ccc3cc4ccccc4nc3c2n1.Clc1cccc(-c2nc(Cl)co2)n1.Clc1nc(-c2nc3ccccc3[nH]2)cs1.Cn1cc(Cl)nc1-c1ccccn1.Cn1cc(Cl)nc1-c1nc(Cl)cn1C.Cn1cc(F)nc1-c1nc(F)cn1C.FC(F)(F)c1cc(-c2cccc(Cl)n2)nc2ccccc12.Fc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Fc1coc(-c2nc(F)co2)n1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline?

The InChIKey is HBVODDNATRXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2.C16H11F3N2.C15H8ClF3N2.C15H8F4N2.C10H6ClN3S.C9H8ClN3.C8H8Cl2N4.C8H4Cl2N2O.C8H8F2N4.C6H2F2N2O2.CH4/c17-14-8-7-10-5-6-12-9-11-3-1-2-4-13(11)18-16(12)15(10)19-14;1-10-5-4-8-14(20-10)15-9-12(16(17,18)19)11-6-2-3-7-13(11)21-15;2*16-14-7-3-6-12(21-14)13-8-10(15(17,18)19)9-4-1-2-5-11(9)20-13;11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9;1-13-6-8(10)12-9(13)7-4-2-3-5-11-7;1-13-3-5(9)11-7(13)8-12-6(10)4-14(8)2;9-6-3-1-2-5(11-6)8-12-7(10)4-13-8;1-13-3-5(9)11-7(13)8-12-6(10)4-14(8)2;7-3-1-11-5(9-3)6-10-4(8)2-12-6;/h1-9H;2-9H,1H3;2*1-8H;1-5H,(H,12,13);2-6H,1H3;3-4H,1-2H3;1-4H;3-4H,1-2H3;1-2H;1H4.

What are the key properties of 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline?

4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline has a molecular weight of 2415.68 g/mol, XLogP of 32.63, 9 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;4-chloro-2-(4-chloro-1-methylimidazol-2-yl)-1-methylimidazole;4-chloro-2-(6-chloro-2-pyridinyl)-1,3-oxazole;2-(4-chloro-1-methylimidazol-2-yl)pyridine;2-(6-chloro-2-pyridinyl)-4-(trifluoromethyl)quinoline;4-fluoro-2-(4-fluoro-1-methylimidazol-2-yl)-1-methylimidazole;4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 158432614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).