1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C206H193ClF4N42O3S5 — CID 160535384

About 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 160535384) has the molecular formula C206H193ClF4N42O3S5 and a molecular weight of 3576.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 160535384
• Molecular Formula: C206H193ClF4N42O3S5
• Molecular Weight: 3576.88 g/mol
• Exact Mass: 3573.45
• IUPAC Name: 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• SMILES: C1=NCc2ncccc21.CCN(C)c1nccs1.COc1ccc(-c2ccc[nH]2)cc1.Cc1cc(C)on1.Cc1ccc2c[nH]cc2c1.Cc1ccc2cc[nH]c2c1.Cc1cccs1.Cc1cncn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2ccnc2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2ccnc2)cc1.Fc1cccc(-c2nccs2)c1.c1cc2n(c1)CCCN2.c1ccc(-c2ncccn2)cc1.c1ccc2c(c1)sc1ccccc12.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1.c1cnc2c[nH]cc2c1.c1cnc2nc[nH]c2c1.c1csc(N2CCCCC2)n1
• InChI: InChI=1S/C12H8S.C11H7F2N.C11H11NO.2C10H10N2.C10H8N2.C9H7ClN2.C9H7FN2.C9H6FNS.C9H8N2O.3C9H9N.C9H7N.C8H12N2S.C8H6N2.C7H10N2.2C7H6N2.2C6H5N3.C6H10N2S.C5H4N4.C5H7NO.C5H6S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-7-11-8-12(9)10-5-3-2-4-6-10;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-2-1-3-9(6-8)12-5-4-11-7-12;10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-10(6-3-1)8-9-4-7-11-8;1-2-4-8-7(3-1)5-9-6-10-8;1-3-7-8-4-2-6-9(7)5-1;2*1-2-6-4-8-5-7(6)9-3-1;1-2-5-6(7-3-1)9-4-8-5;1-2-4-9-5-7-8-6(9)3-1;1-3-8(2)6-7-4-5-9-6;1-2-4-9-5(3-1)6-7-8-9;1-4-3-5(2)7-6-4;1-5-3-2-4-6-5/h1-8H;1-7H;2-8,12H,1H3;2*2-8H,1H3;1-8H;2*1-7H;1-6H;2-6H,1H3;2*2-6,10H,1H3;2-7H,1H3;1-7H;4,7H,1-3,5-6H2;1-6H;1,3,5,8H,2,4,6H2;1-4H,5H2;1-5,8H;1-4H,(H,7,8,9);1-5H;4-5H,3H2,1-2H3;1-4H;3H,1-2H3;2-4H,1H3
• InChIKey: QWBWNSKGAZCCKT-UHFFFAOYSA-N
• XLogP: 49.58
• TPSA: 505.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 13
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3576.88
LogP ≤ 5	49.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 160535384) is 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=NCc2ncccc21.CCN(C)c1nccs1.COc1ccc(-c2ccc[nH]2)cc1.Cc1cc(C)on1.Cc1ccc2c[nH]cc2c1.Cc1ccc2cc[nH]c2c1.Cc1cccs1.Cc1cncn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2ccnc2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2ccnc2)cc1.Fc1cccc(-c2nccs2)c1.c1cc2n(c1)CCCN2.c1ccc(-c2ncccn2)cc1.c1ccc2c(c1)sc1ccccc12.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1.c1cnc2c[nH]cc2c1.c1cnc2nc[nH]c2c1.c1csc(N2CCCCC2)n1.

What is the InChIKey of 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is QWBWNSKGAZCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.C11H7F2N.C11H11NO.2C10H10N2.C10H8N2.C9H7ClN2.C9H7FN2.C9H6FNS.C9H8N2O.3C9H9N.C9H7N.C8H12N2S.C8H6N2.C7H10N2.2C7H6N2.2C6H5N3.C6H10N2S.C5H4N4.C5H7NO.C5H6S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-7-11-8-12(9)10-5-3-2-4-6-10;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-2-1-3-9(6-8)12-5-4-11-7-12;10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-10(6-3-1)8-9-4-7-11-8;1-2-4-8-7(3-1)5-9-6-10-8;1-3-7-8-4-2-6-9(7)5-1;2*1-2-6-4-8-5-7(6)9-3-1;1-2-5-6(7-3-1)9-4-8-5;1-2-4-9-5-7-8-6(9)3-1;1-3-8(2)6-7-4-5-9-6;1-2-4-9-5(3-1)6-7-8-9;1-4-3-5(2)7-6-4;1-5-3-2-4-6-5/h1-8H;1-7H;2-8,12H,1H3;2*2-8H,1H3;1-8H;2*1-7H;1-6H;2-6H,1H3;2*2-6,10H,1H3;2-7H,1H3;1-7H;4,7H,1-3,5-6H2;1-6H;1,3,5,8H,2,4,6H2;1-4H,5H2;1-5,8H;1-4H,(H,7,8,9);1-5H;4-5H,3H2,1-2H3;1-4H;3H,1-2H3;2-4H,1H3.

What are the key properties of 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3576.88 g/mol, XLogP of 49.58, 13 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)imidazole;dibenzothiophene;2-(3,4-difluorophenyl)pyridine;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;1-(4-fluorophenyl)imidazole;2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-1-phenylimidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;6H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 160535384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).