3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine

C103H104N18O+4 — CID 159790988

About 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine

3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine (PubChem CID 159790988) has the molecular formula C103H104N18O+4 and a molecular weight of 1610.09 g/mol. Its IUPAC name is 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine.

Molecular Properties

• Compound Name: 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine
• PubChem CID: 159790988
• Molecular Formula: C103H104N18O+4
• Molecular Weight: 1610.09 g/mol
• Exact Mass: 1608.86
• IUPAC Name: 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine
• SMILES: Cc1c(-n2ccc[n+]2C)cc2ccccn12.Cc1c(N2c3ccccc3N(C)N2C)cn2ccccc12.Cc1cc2ccccn2c1-c1n(C)cc[n+]1C.Cc1cccc(C)c1-n1cc[n+](C)c1-c1ccn2ccccc12.Cc1cccn2ccc(N3c4ccccc4N(C)[C@@H]3C)c12.Cc1ccn2cccc(-c3c4oc5ccccc5c4cc[n+]3C)c12
• InChI: InChI=1S/C21H17N2O.C20H20N3.C18H19N3.C17H18N4.C14H16N3.C13H14N3/c1-14-9-13-23-11-5-7-17(19(14)23)20-21-16(10-12-22(20)2)15-6-3-4-8-18(15)24-21;1-15-7-6-8-16(2)19(15)23-14-13-21(3)20(23)17-10-12-22-11-5-4-9-18(17)22;1-13-7-6-11-20-12-10-17(18(13)20)21-14(2)19(3)15-8-4-5-9-16(15)21;1-13-14-8-6-7-11-20(14)12-17(13)21-16-10-5-4-9-15(16)18(2)19(21)3;1-11-10-12-6-4-5-7-17(12)13(11)14-15(2)8-9-16(14)3;1-11-13(16-9-5-7-14(16)2)10-12-6-3-4-8-15(11)12/h3-13H,1-2H3;4-14H,1-3H3;4-12,14H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;3-10H,1-2H3/q2*+1;;;2*+1/t;;14-;;;/m..0.../s1
• InChIKey: OFUSTMGJWIQCKF-IPBPGIEUSA-N
• XLogP: 20.20
• TPSA: 86.11 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.09
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine?

The IUPAC name of 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine (CID 159790988) is 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine.

What is the SMILES notation for 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine?

The canonical SMILES for 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine is Cc1c(-n2ccc[n+]2C)cc2ccccn12.Cc1c(N2c3ccccc3N(C)N2C)cn2ccccc12.Cc1cc2ccccn2c1-c1n(C)cc[n+]1C.Cc1cccc(C)c1-n1cc[n+](C)c1-c1ccn2ccccc12.Cc1cccn2ccc(N3c4ccccc4N(C)[C@@H]3C)c12.Cc1ccn2cccc(-c3c4oc5ccccc5c4cc[n+]3C)c12.

What is the InChIKey of 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine?

The InChIKey is OFUSTMGJWIQCKF-IPBPGIEUSA-N. The full InChI is InChI=1S/C21H17N2O.C20H20N3.C18H19N3.C17H18N4.C14H16N3.C13H14N3/c1-14-9-13-23-11-5-7-17(19(14)23)20-21-16(10-12-22(20)2)15-6-3-4-8-18(15)24-21;1-15-7-6-8-16(2)19(15)23-14-13-21(3)20(23)17-10-12-22-11-5-4-9-18(17)22;1-13-7-6-11-20-12-10-17(18(13)20)21-14(2)19(3)15-8-4-5-9-16(15)21;1-13-14-8-6-7-11-20(14)12-17(13)21-16-10-5-4-9-15(16)18(2)19(21)3;1-11-10-12-6-4-5-7-17(12)13(11)14-15(2)8-9-16(14)3;1-11-13(16-9-5-7-14(16)2)10-12-6-3-4-8-15(11)12/h3-13H,1-2H3;4-14H,1-3H3;4-12,14H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;3-10H,1-2H3/q2*+1;;;2*+1/t;;14-;;;/m..0.../s1.

What are the key properties of 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine?

3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine has a molecular weight of 1610.09 g/mol, XLogP of 20.20, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine is sourced from PubChem (CID 159790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).