2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole

C178H229N31O9 — CID 159786333

About 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole

2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 159786333) has the molecular formula C178H229N31O9 and a molecular weight of 2947.00 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole
• PubChem CID: 159786333
• Molecular Formula: C178H229N31O9
• Molecular Weight: 2947.00 g/mol
• Exact Mass: 2944.84
• IUPAC Name: 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole
• SMILES: Cc1c[nH]c(C)c1.Cc1c[nH]cc1C.Cc1cc2c(C)cccc2o1.Cc1cc2cccc(C)c2o1.Cc1cc[nH]c1C.Cc1ccc(C)[nH]1.Cc1ccc2c(C)coc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2ccoc2c1C.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1cccc2occ(C)c12.Cc1cccn1C.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cncn1C.Cc1cncn1C.Cc1n[nH]c(C)n1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1oc2ccccc2c1C
• InChI: InChI=1S/9C10H10O.6C6H9N.8C5H8N2.3C4H7N3/c1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;2*1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;3*1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;1-3-5-4(2)7-6-3/h9*3-6H,1-2H3;2*3-4,7H,1-2H3;2*3-5H,1-2H3;2*3-4,7H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
• InChIKey: NHZLTKAZWNOKLV-UHFFFAOYSA-N
• XLogP: 44.33
• TPSA: 480.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2947.00
LogP ≤ 5	44.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole?

The IUPAC name of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole (CID 159786333) is 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole.

What is the SMILES notation for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole?

The canonical SMILES for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole is Cc1c[nH]c(C)c1.Cc1c[nH]cc1C.Cc1cc2c(C)cccc2o1.Cc1cc2cccc(C)c2o1.Cc1cc[nH]c1C.Cc1ccc(C)[nH]1.Cc1ccc2c(C)coc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2ccoc2c1C.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1cccc2occ(C)c12.Cc1cccn1C.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cncn1C.Cc1cncn1C.Cc1n[nH]c(C)n1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1oc2ccccc2c1C.

What is the InChIKey of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole?

The InChIKey is NHZLTKAZWNOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/9C10H10O.6C6H9N.8C5H8N2.3C4H7N3/c1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;2*1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;3*1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;1-3-5-4(2)7-6-3/h9*3-6H,1-2H3;2*3-4,7H,1-2H3;2*3-5H,1-2H3;2*3-4,7H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7).

What are the key properties of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole?

2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 2947.00 g/mol, XLogP of 44.33, 0 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;bis(1,5-dimethylimidazole);tris(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 159786333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).