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

C98H66Cl6F12N20OS — CID 159043954

IUPAC4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline
SMILESC.Cc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Clc1ccc2ccc3cc4ccccc4nc3c2n1.Clc1cccc(-c2nc(Cl)co2)n1.Clc1nc(-c2nc3ccccc3[nH]2)cs1.Cn1cc(Cl)nc1-c1ccccn1.Cn1cc(F)nc1-c1nc(F)cn1C.FC(F)(F)c1cc(-c2cccc(Cl)n2)nc2ccccc12.Fc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1
InChIInChI=1S/C16H9ClN2.C16H11F3N2.C15H8ClF3N2.C15H8F4N2.C10H6ClN3S.C9H8ClN3.C8H4Cl2N2O.C8H8F2N4.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;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;/h1-9H;2-9H,1H3;2*1-8H;1-5H,(H,12,13);2-6H,1H3;1-4H;3-4H,1-2H3;1H4
InChIKeyJWKNXHASIRIQKH-UHFFFAOYSA-N
MW2012.51 g/mol
LogP28.89
Rot. Bonds7

About 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline (PubChem CID 159043954) has the molecular formula C98H66Cl6F12N20OS and a molecular weight of 2012.51 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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline
PubChem CID159043954
Molecular FormulaC98H66Cl6F12N20OS
Molecular Weight2012.51 g/mol
Exact Mass2008.34
IUPAC Name4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline
SMILESC.Cc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1.Clc1ccc2ccc3cc4ccccc4nc3c2n1.Clc1cccc(-c2nc(Cl)co2)n1.Clc1nc(-c2nc3ccccc3[nH]2)cs1.Cn1cc(Cl)nc1-c1ccccn1.Cn1cc(F)nc1-c1nc(F)cn1C.FC(F)(F)c1cc(-c2cccc(Cl)n2)nc2ccccc12.Fc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)n1
InChIInChI=1S/C16H9ClN2.C16H11F3N2.C15H8ClF3N2.C15H8F4N2.C10H6ClN3S.C9H8ClN3.C8H4Cl2N2O.C8H8F2N4.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;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;/h1-9H;2-9H,1H3;2*1-8H;1-5H,(H,12,13);2-6H,1H3;1-4H;3-4H,1-2H3;1H4
InChIKeyJWKNXHASIRIQKH-UHFFFAOYSA-N
XLogP28.89
TPSA249.96 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.51
LogP ≤ 528.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

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'}

Analyze 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-[3-methyl-2-pyridin-2-yl-5-(4-pyridin-4-ylphenyl)imidazol-4-yl]sulfanylpyridine;2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]propan-2-ol;2-[4-(4-chlorophenyl)sulfanyl-3-methyl-5-(4-thiophen-3-ylphenyl)-1H-imidazol-3-ium-2-yl]pyridine;2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]phenyl]-1,3-oxazole;2,2,2-trifluoroacetate
CID 157102715
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

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-(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;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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline (CID 159043954) is 4-(1H-benzimidazol-2-yl)-2-chloro-1,3-thiazole;2-chlorobenzo[b][1,10]phenanthroline;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;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-(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;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-(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;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(F)nc1-c1nc(F)cn1C.FC(F)(F)c1cc(-c2cccc(Cl)n2)nc2ccccc12.Fc1cccc(-c2cc(C(F)(F)F)c3ccccc3n2)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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline?
The InChIKey is JWKNXHASIRIQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2.C16H11F3N2.C15H8ClF3N2.C15H8F4N2.C10H6ClN3S.C9H8ClN3.C8H4Cl2N2O.C8H8F2N4.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;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;/h1-9H;2-9H,1H3;2*1-8H;1-5H,(H,12,13);2-6H,1H3;1-4H;3-4H,1-2H3;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-(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;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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline has a molecular weight of 2012.51 g/mol, XLogP of 28.89, 7 rotatable bonds, 1 hydrogen bond donors, and 21 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-(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;2-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)quinoline;methane;2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 159043954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).