2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium

C107H112F3N25O+10 — CID 162177431

About 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium

2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium (PubChem CID 162177431) has the molecular formula C107H112F3N25O+10 and a molecular weight of 1821.24 g/mol. Its IUPAC name is 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium.

Molecular Properties

• Compound Name: 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium
• PubChem CID: 162177431
• Molecular Formula: C107H112F3N25O+10
• Molecular Weight: 1821.24 g/mol
• Exact Mass: 1819.94
• IUPAC Name: 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium
• SMILES: C1=[N+](C2CCCCC2)Cn2c1cc1ccccc12.C1=[N+](c2ccccc2)Cn2nccc21.COc1ccc([N+]2=CC3=CCCN3C2)cc1.C[N+]1=Cc2cccn2C1.C[N+]1=Cc2cccn2C1.C[N+]1=Nc2cccn2C1.Cc1ccccc1[N+]1=Cc2cccn2C1.FC(F)(F)c1ccc([N+]2=Cc3cccn3C2)cc1.c1ccc([N+]2=Nc3cccn3C2)cc1.c1ccc([N+]2=Nc3cncn3C2)cc1
• InChI: InChI=1S/C16H19N2.C13H10F3N2.C13H15N2O.C13H13N2.2C11H10N3.C10H9N4.2C7H9N2.C6H8N3/c1-2-7-14(8-3-1)17-11-15-10-13-6-4-5-9-16(13)18(15)12-17;14-13(15,16)10-3-5-11(6-4-10)18-8-12-2-1-7-17(12)9-18;1-16-13-6-4-11(5-7-13)15-9-12-3-2-8-14(12)10-15;1-11-5-2-3-7-13(11)15-9-12-6-4-8-14(12)10-15;1-2-5-10(6-3-1)14-9-13-8-4-7-11(13)12-14;1-2-4-10(5-3-1)13-8-11-6-7-12-14(11)9-13;1-2-4-9(5-3-1)14-8-13-7-11-6-10(13)12-14;2*1-8-5-7-3-2-4-9(7)6-8;1-8-5-9-4-2-3-6(9)7-8/h4-6,9-11,14H,1-3,7-8,12H2;1-8H,9H2;3-7,9H,2,8,10H2,1H3;2-9H,10H2,1H3;2*1-8H,9H2;1-7H,8H2;2*2-5H,6H2,1H3;2-4H,5H2,1H3/q10*+1
• InChIKey: AGANJYMYHXSWML-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 149.80 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.24
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium?

The IUPAC name of 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium (CID 162177431) is 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium.

What is the SMILES notation for 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium?

The canonical SMILES for 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium is C1=[N+](C2CCCCC2)Cn2c1cc1ccccc12.C1=[N+](c2ccccc2)Cn2nccc21.COc1ccc([N+]2=CC3=CCCN3C2)cc1.C[N+]1=Cc2cccn2C1.C[N+]1=Cc2cccn2C1.C[N+]1=Nc2cccn2C1.Cc1ccccc1[N+]1=Cc2cccn2C1.FC(F)(F)c1ccc([N+]2=Cc3cccn3C2)cc1.c1ccc([N+]2=Nc3cccn3C2)cc1.c1ccc([N+]2=Nc3cncn3C2)cc1.

What is the InChIKey of 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium?

The InChIKey is AGANJYMYHXSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2.C13H10F3N2.C13H15N2O.C13H13N2.2C11H10N3.C10H9N4.2C7H9N2.C6H8N3/c1-2-7-14(8-3-1)17-11-15-10-13-6-4-5-9-16(13)18(15)12-17;14-13(15,16)10-3-5-11(6-4-10)18-8-12-2-1-7-17(12)9-18;1-16-13-6-4-11(5-7-13)15-9-12-3-2-8-14(12)10-15;1-11-5-2-3-7-13(11)15-9-12-6-4-8-14(12)10-15;1-2-5-10(6-3-1)14-9-13-8-4-7-11(13)12-14;1-2-4-10(5-3-1)13-8-11-6-7-12-14(11)9-13;1-2-4-9(5-3-1)14-8-13-7-11-6-10(13)12-14;2*1-8-5-7-3-2-4-9(7)6-8;1-8-5-9-4-2-3-6(9)7-8/h4-6,9-11,14H,1-3,7-8,12H2;1-8H,9H2;3-7,9H,2,8,10H2,1H3;2-9H,10H2,1H3;2*1-8H,9H2;1-7H,8H2;2*2-5H,6H2,1H3;2-4H,5H2,1H3/q10*+1.

What are the key properties of 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium?

2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium has a molecular weight of 1821.24 g/mol, XLogP of 20.13, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1H-imidazo[1,5-a]indol-2-ium;2-(4-methoxyphenyl)-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-2-ium;2-(2-methylphenyl)-3H-pyrrolo[1,2-c]imidazol-2-ium;bis(2-methyl-3H-pyrrolo[1,2-c]imidazol-2-ium);2-methyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;5-phenyl-6H-imidazo[1,5-b]pyrazol-5-ium;2-phenyl-3H-imidazo[5,1-c][1,2,4]triazol-2-ium;2-phenyl-3H-pyrrolo[2,1-c][1,2,4]triazol-2-ium;2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-2-ium is sourced from PubChem (CID 162177431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).