1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

C204H185ClF6N46O4S — CID 160650132

About 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (PubChem CID 160650132) has the molecular formula C204H185ClF6N46O4S and a molecular weight of 3526.55 g/mol. Its IUPAC name is 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
• PubChem CID: 160650132
• Molecular Formula: C204H185ClF6N46O4S
• Molecular Weight: 3526.55 g/mol
• Exact Mass: 3523.50
• IUPAC Name: 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
• SMILES: C.C.C.COc1cccc(-n2cccn2)c1.Cc1cccc(-n2cccn2)c1.Cc1cccc(-n2cccn2)c1.Cc1nc(-c2ccccc2)no1.Clc1ccccc1-n1cccn1.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2cccn2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1ccccc1-n1cccn1.c1cc2c3c(cccc3c1)CNC2.c1ccc(-c2cnc[nH]2)nc1.c1ccc(-n2ccnc2)cc1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ncccc2c1.c1cnc2c(c1)CNCC2.c1cnc2ccncc2c1.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2ncno2)c1
• InChI: InChI=1S/C12H11N.C11H7F2N.C10H10N2O.2C10H10N2.C9H7ClN2.4C9H7FN2.C9H8N2O.C9H8N2.C9H7N.3C8H7N3.C8H6N2O.C8H10N2.C8H6N2.C8H9N.C7H5N3O.C7H6N2.C6H4N2S.3CH4/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;2*1-9-4-2-5-10(8-9)12-7-3-6-11-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;10-8-2-4-9(5-3-8)12-7-1-6-11-12;2*10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-7(4-9-3-1)8-5-10-6-11-8;1-2-4-10-7(3-1)8-5-9-6-11-8;1-2-7(6-9-4-1)8-3-5-11-10-8;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6(4-8-3-1)7-9-5-10-11-7;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;;;/h1-6,13H,7-8H2;1-7H;2-8H,1H3;2*2-8H,1H3;5*1-7H;2-6H,1H3;1-8H;1-7H;2*1-6H,(H,10,11);1-6H,(H,9,11);1-6H;1-2,4,9H,3,5-6H2;1-6H;1-4,9H,5-6H2;1-5H;1-5H,(H,8,9);1-4H;3*1H4
• InChIKey: RKHQWBLIEJIQDL-UHFFFAOYSA-N
• XLogP: 44.89
• TPSA: 578.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 17
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3526.55
LogP ≤ 5	44.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The IUPAC name of 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (CID 160650132) is 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.

What is the SMILES notation for 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The canonical SMILES for 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is C.C.C.COc1cccc(-n2cccn2)c1.Cc1cccc(-n2cccn2)c1.Cc1cccc(-n2cccn2)c1.Cc1nc(-c2ccccc2)no1.Clc1ccccc1-n1cccn1.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2cccn2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1ccccc1-n1cccn1.c1cc2c3c(cccc3c1)CNC2.c1ccc(-c2cnc[nH]2)nc1.c1ccc(-n2ccnc2)cc1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ncccc2c1.c1cnc2c(c1)CNCC2.c1cnc2ccncc2c1.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2ncno2)c1.

What is the InChIKey of 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The InChIKey is RKHQWBLIEJIQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H7F2N.C10H10N2O.2C10H10N2.C9H7ClN2.4C9H7FN2.C9H8N2O.C9H8N2.C9H7N.3C8H7N3.C8H6N2O.C8H10N2.C8H6N2.C8H9N.C7H5N3O.C7H6N2.C6H4N2S.3CH4/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;2*1-9-4-2-5-10(8-9)12-7-3-6-11-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;10-8-2-4-9(5-3-8)12-7-1-6-11-12;2*10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-7(4-9-3-1)8-5-10-6-11-8;1-2-4-10-7(3-1)8-5-9-6-11-8;1-2-7(6-9-4-1)8-3-5-11-10-8;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6(4-8-3-1)7-9-5-10-11-7;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;;;/h1-6,13H,7-8H2;1-7H;2-8H,1H3;2*2-8H,1H3;5*1-7H;2-6H,1H3;1-8H;1-7H;2*1-6H,(H,10,11);1-6H,(H,9,11);1-6H;1-2,4,9H,3,5-6H2;1-6H;1-4,9H,5-6H2;1-5H;1-5H,(H,8,9);1-4H;3*1H4.

What are the key properties of 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine has a molecular weight of 3526.55 g/mol, XLogP of 44.89, 17 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;bis(1-(4-fluorophenyl)imidazole);1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;bis(3-(1H-imidazol-5-yl)pyridine);methane;1-(3-methoxyphenyl)pyrazole;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1,6-naphthyridine;1-phenylimidazole;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is sourced from PubChem (CID 160650132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).