1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole

C88H96N10O6 — CID 157277289

About 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole

1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole (PubChem CID 157277289) has the molecular formula C88H96N10O6 and a molecular weight of 1389.80 g/mol. Its IUPAC name is 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole.

Molecular Properties

• Compound Name: 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole
• PubChem CID: 157277289
• Molecular Formula: C88H96N10O6
• Molecular Weight: 1389.80 g/mol
• Exact Mass: 1388.75
• IUPAC Name: 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole
• SMILES: Cc1cccc2[nH]cc(C)c12.Cc1cccc2c1N(C)C(=O)C2.Cc1cccc2c1N(C)C(=O)C2=O.Cc1cccc2c1N(C)CC2.Cc1cccc2c1c(C)nn2C.Cc1cccc2ccn(C)c12.Cc1cccc2ncn(C)c12.Cc1cccc2oc(=O)n(C)c12.Cc1cccc2occ(C)c12
• InChI: InChI=1S/C10H12N2.C10H9NO2.C10H11NO.C10H13N.2C10H11N.C10H10O.C9H10N2.C9H9NO2/c1-7-5-4-6-9-10(7)8(2)11-12(9)3;1-6-4-3-5-7-8(6)11(2)10(13)9(7)12;1-7-4-3-5-8-6-9(12)11(2)10(7)8;2*1-8-4-3-5-9-6-7-11(2)10(8)9;2*1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-8-9(7)11(2)6-10-8;1-6-4-3-5-7-8(6)10(2)9(11)12-7/h4-6H,1-3H3;3-5H,1-2H3;3-5H,6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: AZGHRNNWMYTZNO-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 165.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1389.80
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole?

The IUPAC name of 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole (CID 157277289) is 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole.

What is the SMILES notation for 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole?

The canonical SMILES for 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole is Cc1cccc2[nH]cc(C)c12.Cc1cccc2c1N(C)C(=O)C2.Cc1cccc2c1N(C)C(=O)C2=O.Cc1cccc2c1N(C)CC2.Cc1cccc2c1c(C)nn2C.Cc1cccc2ccn(C)c12.Cc1cccc2ncn(C)c12.Cc1cccc2oc(=O)n(C)c12.Cc1cccc2occ(C)c12.

What is the InChIKey of 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole?

The InChIKey is AZGHRNNWMYTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H9NO2.C10H11NO.C10H13N.2C10H11N.C10H10O.C9H10N2.C9H9NO2/c1-7-5-4-6-9-10(7)8(2)11-12(9)3;1-6-4-3-5-7-8(6)11(2)10(13)9(7)12;1-7-4-3-5-8-6-9(12)11(2)10(7)8;2*1-8-4-3-5-9-6-7-11(2)10(8)9;2*1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-8-9(7)11(2)6-10-8;1-6-4-3-5-7-8(6)10(2)9(11)12-7/h4-6H,1-3H3;3-5H,1-2H3;3-5H,6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole?

1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole has a molecular weight of 1389.80 g/mol, XLogP of 18.49, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole is sourced from PubChem (CID 157277289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).