tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C110H133ClIN25O9 — CID 158503047

About tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 158503047) has the molecular formula C110H133ClIN25O9 and a molecular weight of 2111.80 g/mol. Its IUPAC name is tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
• PubChem CID: 158503047
• Molecular Formula: C110H133ClIN25O9
• Molecular Weight: 2111.80 g/mol
• Exact Mass: 2109.95
• IUPAC Name: tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCc2c(ncn2-c2ccccc2)C1.CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1.CC(C)(C)OC(=O)N1CCc2ncn(-c3ccccc3)c2C1.CC(C)(C)OC(=O)N1CCc2ncn(-c3ccccc3)c2C1.Ic1ccccc1.NCCc1cnc[nH]1.O=C(Nc1cccc(Cl)c1)N1CCc2ncn(-c3ccccc3)c2C1.c1ccc(-n2cnc3c2CNCC3)cc1.c1nc2c([nH]1)CNCC2
• InChI: InChI=1S/C19H17ClN4O.3C17H21N3O2.C12H13N3.C11H17N3O2.C6H5I.C6H9N3.C5H9N3/c20-14-5-4-6-15(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;2*1-17(2,3)22-16(21)19-10-9-14-15(11-19)20(12-18-14)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-6-7-13-8-12(11)15;1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8;7-6-4-2-1-3-5-6;1-2-7-3-6-5(1)8-4-9-6;6-2-1-5-3-7-4-8-5/h1-8,11,13H,9-10,12H2,(H,22,25);3*4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2;7H,4-6H2,1-3H3,(H,12,13);1-5H;4,7H,1-3H2,(H,8,9);3-4H,1-2,6H2,(H,7,8)
• InChIKey: HKDBPMDXRNHCGT-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 375.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.80
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?

The IUPAC name of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 158503047) is tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)(C)OC(=O)N1CCc2c(ncn2-c2ccccc2)C1.CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1.CC(C)(C)OC(=O)N1CCc2ncn(-c3ccccc3)c2C1.CC(C)(C)OC(=O)N1CCc2ncn(-c3ccccc3)c2C1.Ic1ccccc1.NCCc1cnc[nH]1.O=C(Nc1cccc(Cl)c1)N1CCc2ncn(-c3ccccc3)c2C1.c1ccc(-n2cnc3c2CNCC3)cc1.c1nc2c([nH]1)CNCC2.

What is the InChIKey of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?

The InChIKey is HKDBPMDXRNHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.3C17H21N3O2.C12H13N3.C11H17N3O2.C6H5I.C6H9N3.C5H9N3/c20-14-5-4-6-15(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;2*1-17(2,3)22-16(21)19-10-9-14-15(11-19)20(12-18-14)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-6-7-13-8-12(11)15;1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8;7-6-4-2-1-3-5-6;1-2-7-3-6-5(1)8-4-9-6;6-2-1-5-3-7-4-8-5/h1-8,11,13H,9-10,12H2,(H,22,25);3*4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2;7H,4-6H2,1-3H3,(H,12,13);1-5H;4,7H,1-3H2,(H,8,9);3-4H,1-2,6H2,(H,7,8).

What are the key properties of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?

tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 2111.80 g/mol, XLogP of 19.09, 8 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;bis(tert-butyl 3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate);tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;2-(1H-imidazol-5-yl)ethanamine;iodobenzene;3-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 158503047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).