tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium

C67H71Cl2N14O4+3 — CID 159027524

About tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium

tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium (PubChem CID 159027524) has the molecular formula C67H71Cl2N14O4+3 and a molecular weight of 1207.30 g/mol. Its IUPAC name is tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium.

Molecular Properties

• Compound Name: tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium
• PubChem CID: 159027524
• Molecular Formula: C67H71Cl2N14O4+3
• Molecular Weight: 1207.30 g/mol
• Exact Mass: 1205.51
• IUPAC Name: tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium
• SMILES: CC(C)(C)OC(=O)N1CCc2c([nH]c[n+]2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2c([nH]c[n+]2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2ncn(-c3ccccc3)c2C1.c1ccc(-[n+]2c[nH]c3c2CCNC3)cc1
• InChI: InChI=1S/2C19H17ClN4O.C17H21N3O2.C12H13N3/c20-14-5-4-6-15(11-14)22-19(25)23-10-9-18-17(12-23)21-13-24(18)16-7-2-1-3-8-16;20-14-5-4-6-15(11-14)22-19(25)23-10-9-17-18(12-23)24(13-21-17)16-7-2-1-3-8-16;1-17(2,3)22-16(21)19-10-9-15-14(11-19)18-12-20(15)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h2*1-8,11,13H,9-10,12H2,(H,22,25);4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2/p+3
• InChIKey: GZYLWPFBTRHCFV-UHFFFAOYSA-Q
• XLogP: 11.17
• TPSA: 183.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.30
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium?

The IUPAC name of tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium (CID 159027524) is tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium.

What is the SMILES notation for tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium?

The canonical SMILES for tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium is CC(C)(C)OC(=O)N1CCc2c([nH]c[n+]2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2c([nH]c[n+]2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2ncn(-c3ccccc3)c2C1.c1ccc(-[n+]2c[nH]c3c2CCNC3)cc1.

What is the InChIKey of tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium?

The InChIKey is GZYLWPFBTRHCFV-UHFFFAOYSA-Q. The full InChI is InChI=1S/2C19H17ClN4O.C17H21N3O2.C12H13N3/c20-14-5-4-6-15(11-14)22-19(25)23-10-9-18-17(12-23)21-13-24(18)16-7-2-1-3-8-16;20-14-5-4-6-15(11-14)22-19(25)23-10-9-17-18(12-23)24(13-21-17)16-7-2-1-3-8-16;1-17(2,3)22-16(21)19-10-9-15-14(11-19)18-12-20(15)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h2*1-8,11,13H,9-10,12H2,(H,22,25);4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2/p+3.

What are the key properties of tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium?

tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium has a molecular weight of 1207.30 g/mol, XLogP of 11.17, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-1-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-carboxamide;1-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-1-ium is sourced from PubChem (CID 159027524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).