1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C135H136F12N38O4S — CID 158043085

About 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 158043085) has the molecular formula C135H136F12N38O4S and a molecular weight of 2614.88 g/mol. Its IUPAC name is 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• PubChem CID: 158043085
• Molecular Formula: C135H136F12N38O4S
• Molecular Weight: 2614.88 g/mol
• Exact Mass: 2613.11
• IUPAC Name: 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• SMILES: CN(C)c1ncccn1.COc1cccc(OC)n1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1ccncc1.N#CNCCc1ccncc1.c1ccc(N2CCOCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccnnc1.c1cnc2cc[nH]c2c1.c1cncc(N2CCOCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1
• InChI: InChI=1S/2C9H12N2O.C8H9N3.2C8H7N.C7H10N2S.4C7H6N2.C7H9NO2.3C6H4F3N.C6H5N3.C6H9N3.C5H5N.C4H3F3N2.3C4H4N2/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-4-10-9(3-1)11-5-7-12-8-6-11;9-7-11-6-3-8-1-4-10-5-2-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-9-6-4-3-5-7(8-6)10-2;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-3,8H,4-7H2;1-4H,5-8H2;1-2,4-5,11H,3,6H2;2*1-6,9H;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-5H,(H,8,9);3-5H,1-2H3;3*1-4H;1-5H;3-5H,1-2H3;1-5H;1-2H,(H,8,9);3*1-4H
• InChIKey: FIOYQKRDMJMCGC-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 498.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 9
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2614.88
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The IUPAC name of 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 158043085) is 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

What is the SMILES notation for 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The canonical SMILES for 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is CN(C)c1ncccn1.COc1cccc(OC)n1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1ccncc1.N#CNCCc1ccncc1.c1ccc(N2CCOCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccnnc1.c1cnc2cc[nH]c2c1.c1cncc(N2CCOCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1.

What is the InChIKey of 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The InChIKey is FIOYQKRDMJMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2O.C8H9N3.2C8H7N.C7H10N2S.4C7H6N2.C7H9NO2.3C6H4F3N.C6H5N3.C6H9N3.C5H5N.C4H3F3N2.3C4H4N2/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-4-10-9(3-1)11-5-7-12-8-6-11;9-7-11-6-3-8-1-4-10-5-2-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-9-6-4-3-5-7(8-6)10-2;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-3,8H,4-7H2;1-4H,5-8H2;1-2,4-5,11H,3,6H2;2*1-6,9H;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-5H,(H,8,9);3-5H,1-2H3;3*1-4H;1-5H;3-5H,1-2H3;1-5H;1-2H,(H,8,9);3*1-4H.

What are the key properties of 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 2614.88 g/mol, XLogP of 27.25, 9 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158043085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).