1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium

C67H98N18+6 — CID 157215279

About 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium

1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium (PubChem CID 157215279) has the molecular formula C67H98N18+6 and a molecular weight of 1155.65 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium.

Molecular Properties

• Compound Name: 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium
• PubChem CID: 157215279
• Molecular Formula: C67H98N18+6
• Molecular Weight: 1155.65 g/mol
• Exact Mass: 1154.82
• IUPAC Name: 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium
• SMILES: CC[n+]1c(C)n(C)c2cnc(C)cc21.CC[n+]1c(C)n(C)c2cncc(C)c21.CC[n+]1c(C)n(C)c2cnccc21.CCn1c(C)[n+](C)c2c(C)nc(C)cc21.CCn1c(C)[n+](C)c2c(C)ncc(C)c21.CCn1c(C)[n+](C)c2c(C)nccc21
• InChI: InChI=1S/2C12H18N3.3C11H16N3.C10H14N3/c1-6-15-10(4)14(5)12-9(3)13-7-8(2)11(12)15;1-6-15-10(4)14(5)12-9(3)13-8(2)7-11(12)15;1-5-14-9(3)13(4)10-7-12-6-8(2)11(10)14;1-5-14-9(3)13(4)11-7-12-8(2)6-10(11)14;1-5-14-9(3)13(4)11-8(2)12-7-6-10(11)14;1-4-13-8(2)12(3)10-7-11-6-5-9(10)13/h2*7H,6H2,1-5H3;3*6-7H,5H2,1-4H3;5-7H,4H2,1-3H3/q6*+1
• InChIKey: IWVSKUGQPQMJGK-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 130.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1155.65
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium?

The IUPAC name of 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium (CID 157215279) is 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium.

What is the SMILES notation for 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium?

The canonical SMILES for 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium is CC[n+]1c(C)n(C)c2cnc(C)cc21.CC[n+]1c(C)n(C)c2cncc(C)c21.CC[n+]1c(C)n(C)c2cnccc21.CCn1c(C)[n+](C)c2c(C)nc(C)cc21.CCn1c(C)[n+](C)c2c(C)ncc(C)c21.CCn1c(C)[n+](C)c2c(C)nccc21.

What is the InChIKey of 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium?

The InChIKey is IWVSKUGQPQMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N3.3C11H16N3.C10H14N3/c1-6-15-10(4)14(5)12-9(3)13-7-8(2)11(12)15;1-6-15-10(4)14(5)12-9(3)13-8(2)7-11(12)15;1-5-14-9(3)13(4)10-7-12-6-8(2)11(10)14;1-5-14-9(3)13(4)11-7-12-8(2)6-10(11)14;1-5-14-9(3)13(4)11-8(2)12-7-6-10(11)14;1-4-13-8(2)12(3)10-7-11-6-5-9(10)13/h2*7H,6H2,1-5H3;3*6-7H,5H2,1-4H3;5-7H,4H2,1-3H3/q6*+1.

What are the key properties of 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium?

1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium has a molecular weight of 1155.65 g/mol, XLogP of 9.29, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2,3-dimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4,7-tetramethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,4-trimethylimidazo[4,5-c]pyridin-3-ium;1-ethyl-2,3,6-trimethylimidazo[4,5-c]pyridin-1-ium;1-ethyl-2,3,7-trimethylimidazo[4,5-c]pyridin-1-ium is sourced from PubChem (CID 157215279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).