1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane

C87H127N17 — CID 159374140

About 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane

1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane (PubChem CID 159374140) has the molecular formula C87H127N17 and a molecular weight of 1411.09 g/mol. Its IUPAC name is 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane.

Molecular Properties

• Compound Name: 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
• PubChem CID: 159374140
• Molecular Formula: C87H127N17
• Molecular Weight: 1411.09 g/mol
• Exact Mass: 1410.05
• IUPAC Name: 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccn(C)c12.Cc1cccc2cnn(C)c12.Cc1cccc2ncn(C)c12.Cc1ccnc2ccn(C)c12.Cc1cncc2ccn(C)c12.Cc1cncc2cnn(C)c12.Cc1nccc2ccn(C)c12.Cc1ncnc2ccn(C)c12
• InChI: InChI=1S/C10H11N.5C9H10N2.2C8H9N3.8C2H6/c1-8-4-3-5-9-6-7-11(2)10(8)9;1-7-9-8(3-5-10-7)4-6-11(9)2;1-7-3-5-10-8-4-6-11(2)9(7)8;1-7-5-10-6-8-3-4-11(2)9(7)8;1-7-4-3-5-8-9(7)11(2)6-10-8;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-3-9-4-7-5-10-11(2)8(6)7;1-6-8-7(10-5-9-6)3-4-11(8)2;8*1-2/h3-7H,1-2H3;5*3-6H,1-2H3;2*3-5H,1-2H3;8*1-2H3
• InChIKey: LKCGENZWDWOBAD-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 155.45 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.09
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?

The IUPAC name of 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane (CID 159374140) is 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane.

What is the SMILES notation for 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?

The canonical SMILES for 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccn(C)c12.Cc1cccc2cnn(C)c12.Cc1cccc2ncn(C)c12.Cc1ccnc2ccn(C)c12.Cc1cncc2ccn(C)c12.Cc1cncc2cnn(C)c12.Cc1nccc2ccn(C)c12.Cc1ncnc2ccn(C)c12.

What is the InChIKey of 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?

The InChIKey is LKCGENZWDWOBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.5C9H10N2.2C8H9N3.8C2H6/c1-8-4-3-5-9-6-7-11(2)10(8)9;1-7-9-8(3-5-10-7)4-6-11(9)2;1-7-3-5-10-8-4-6-11(2)9(7)8;1-7-5-10-6-8-3-4-11(2)9(7)8;1-7-4-3-5-8-9(7)11(2)6-10-8;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-3-9-4-7-5-10-11(2)8(6)7;1-6-8-7(10-5-9-6)3-4-11(8)2;8*1-2/h3-7H,1-2H3;5*3-6H,1-2H3;2*3-5H,1-2H3;8*1-2H3.

What are the key properties of 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?

1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane has a molecular weight of 1411.09 g/mol, XLogP of 22.66, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 159374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).