2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole

C234H407F12N71 — CID 165008652

About 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole

2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole (PubChem CID 165008652) has the molecular formula C234H407F12N71 and a molecular weight of 4443.30 g/mol. Its IUPAC name is 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
• PubChem CID: 165008652
• Molecular Formula: C234H407F12N71
• Molecular Weight: 4443.30 g/mol
• Exact Mass: 4440.38
• IUPAC Name: 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
• SMILES: CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1cccn1.CC(C)(C)n1nccc1C(F)(F)F.CC(C)(C)n1nccn1.Cc1ccnn1C(C)(C)C.Cc1ccnn1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)n1C.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)n1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncn(C)c1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.Cn1ncnc1C(C)(C)C
• InChI: InChI=1S/2C9H13F3N2.6C9H16N2.2C8H11F3N2.2C8H15N3.7C8H14N2.6C7H13N3.2C7H12N2.3C6H11N3/c2*1-6-5-13-14(8(2,3)4)7(6)9(10,11)12;1-7-8(9(2,3)4)11(5)6-10-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;3*1-7-6-10-11(8(7)2)9(3,4)5;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-7(2,3)13-6(4-5-12-13)8(9,10)11;2*1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-5-9-6-10(7)4;3*1-7-5-9-10(6-7)8(2,3)4;2*1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-8-5-9-10(6)4;1-6-5-8-10(9-6)7(2,3)4;3*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-7-4-5-8-9/h2*5H,1-4H3;6*6H,1-5H3;2*4-5H,1-3H3;2*1-5H3;6*5-6H,1-4H3;5H,1-4H3,(H,9,10);3*5H,1-4H3;3*1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4H,1-3H3,(H,7,8,9);4-5H,1-3H3
• InChIKey: JIWMBYLUYMXIDH-UHFFFAOYSA-N
• XLogP: 54.78
• TPSA: 752.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 64
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4443.30
LogP ≤ 5	54.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?

The IUPAC name of 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole (CID 165008652) is 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole.

What is the SMILES notation for 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?

The canonical SMILES for 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole is CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1cccn1.CC(C)(C)n1nccc1C(F)(F)F.CC(C)(C)n1nccn1.Cc1ccnn1C(C)(C)C.Cc1ccnn1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)n1C.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)n1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncn(C)c1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.Cn1ncnc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?

The InChIKey is JIWMBYLUYMXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13F3N2.6C9H16N2.2C8H11F3N2.2C8H15N3.7C8H14N2.6C7H13N3.2C7H12N2.3C6H11N3/c2*1-6-5-13-14(8(2,3)4)7(6)9(10,11)12;1-7-8(9(2,3)4)11(5)6-10-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;3*1-7-6-10-11(8(7)2)9(3,4)5;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-7(2,3)13-6(4-5-12-13)8(9,10)11;2*1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-5-9-6-10(7)4;3*1-7-5-9-10(6-7)8(2,3)4;2*1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-8-5-9-10(6)4;1-6-5-8-10(9-6)7(2,3)4;3*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-7-4-5-8-9/h2*5H,1-4H3;6*6H,1-5H3;2*4-5H,1-3H3;2*1-5H3;6*5-6H,1-4H3;5H,1-4H3,(H,9,10);3*5H,1-4H3;3*1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4H,1-3H3,(H,7,8,9);4-5H,1-3H3.

What are the key properties of 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?

2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole has a molecular weight of 4443.30 g/mol, XLogP of 54.78, 0 rotatable bonds, 7 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 165008652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).