ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine

C71H107N13 — CID 159030763

About ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine

ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine (PubChem CID 159030763) has the molecular formula C71H107N13 and a molecular weight of 1142.73 g/mol. Its IUPAC name is ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine
• PubChem CID: 159030763
• Molecular Formula: C71H107N13
• Molecular Weight: 1142.73 g/mol
• Exact Mass: 1141.88
• IUPAC Name: ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC1=C(C)c2c(C)cccc2C1.Cc1cccc2nc(C)n(C)c12.Cc1ccnc2nc(C)n(C)c12.Cc1cncc2nc(C)n(C)c12.Cc1nccc2cc(C)n(C)c12.Cc1nccc2nc(C)n(C)c12
• InChI: InChI=1S/C12H14.2C10H12N2.3C9H11N3.6C2H6/c1-8-5-4-6-11-7-9(2)10(3)12(8)11;1-7-6-9-4-5-11-8(2)10(9)12(7)3;1-7-5-4-6-9-10(7)12(3)8(2)11-9;1-6-4-10-5-8-9(6)12(3)7(2)11-8;1-6-9-8(4-5-10-6)11-7(2)12(9)3;1-6-4-5-10-9-8(6)12(3)7(2)11-9;6*1-2/h4-6H,7H2,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3;6*1-2H3
• InChIKey: JUVWOJAAJTZYOK-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 127.77 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.73
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine?

The IUPAC name of ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine (CID 159030763) is ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine.

What is the SMILES notation for ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine?

The canonical SMILES for ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine is CC.CC.CC.CC.CC.CC.CC1=C(C)c2c(C)cccc2C1.Cc1cccc2nc(C)n(C)c12.Cc1ccnc2nc(C)n(C)c12.Cc1cncc2nc(C)n(C)c12.Cc1nccc2cc(C)n(C)c12.Cc1nccc2nc(C)n(C)c12.

What is the InChIKey of ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine?

The InChIKey is JUVWOJAAJTZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.2C10H12N2.3C9H11N3.6C2H6/c1-8-5-4-6-11-7-9(2)10(3)12(8)11;1-7-6-9-4-5-11-8(2)10(9)12(7)3;1-7-5-4-6-9-10(7)12(3)8(2)11-9;1-6-4-10-5-8-9(6)12(3)7(2)11-8;1-6-9-8(4-5-10-6)11-7(2)12(9)3;1-6-4-5-10-9-8(6)12(3)7(2)11-9;6*1-2/h4-6H,7H2,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3;6*1-2H3.

What are the key properties of ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine?

ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine has a molecular weight of 1142.73 g/mol, XLogP of 18.64, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 159030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).