tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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

C101H137Br2F12N21O14 — CID 158464310

About tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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

tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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 (PubChem CID 158464310) has the molecular formula C101H137Br2F12N21O14 and a molecular weight of 2257.12 g/mol. Its IUPAC name is tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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.

Molecular Properties

• Compound Name: tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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
• PubChem CID: 158464310
• Molecular Formula: C101H137Br2F12N21O14
• Molecular Weight: 2257.12 g/mol
• Exact Mass: 2253.88
• IUPAC Name: tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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
• SMILES: CC(C)(C)OC(=O)N1CCc2c(nc(-c3ccccc3)n2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2c(nc(Br)n2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2c(ncn2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2nc(-c3ccccc3)n(CC(F)F)c2C1.CC(C)(C)OC(=O)N1CCc2nc(Br)n(CC(F)F)c2C1.CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1.CC(C)(C)OC(=O)N1CCc2ncn(CC(F)F)c2C1
• InChI: InChI=1S/2C19H23F2N3O2.2C13H18BrF2N3O2.2C13H19F2N3O2.C11H17N3O2/c1-19(2,3)26-18(25)23-10-9-15-14(11-23)22-17(24(15)12-16(20)21)13-7-5-4-6-8-13;1-19(2,3)26-18(25)23-10-9-14-15(11-23)24(12-16(20)21)17(22-14)13-7-5-4-6-8-13;1-13(2,3)21-12(20)18-5-4-9-8(6-18)17-11(14)19(9)7-10(15)16;1-13(2,3)21-12(20)18-5-4-8-9(6-18)19(7-10(15)16)11(14)17-8;1-13(2,3)20-12(19)17-5-4-10-9(6-17)16-8-18(10)7-11(14)15;1-13(2,3)20-12(19)17-5-4-9-10(6-17)18(8-16-9)7-11(14)15;1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h2*4-8,16H,9-12H2,1-3H3;2*10H,4-7H2,1-3H3;2*8,11H,4-7H2,1-3H3;7H,4-6H2,1-3H3,(H,12,13)
• InChIKey: HFOIIWHMECGVMY-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 342.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.12
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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?

The IUPAC name of tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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 (CID 158464310) is tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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.

What is the SMILES notation for tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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?

The canonical SMILES for tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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 is CC(C)(C)OC(=O)N1CCc2c(nc(-c3ccccc3)n2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2c(nc(Br)n2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2c(ncn2CC(F)F)C1.CC(C)(C)OC(=O)N1CCc2nc(-c3ccccc3)n(CC(F)F)c2C1.CC(C)(C)OC(=O)N1CCc2nc(Br)n(CC(F)F)c2C1.CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1.CC(C)(C)OC(=O)N1CCc2ncn(CC(F)F)c2C1.

What is the InChIKey of tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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?

The InChIKey is HFOIIWHMECGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H23F2N3O2.2C13H18BrF2N3O2.2C13H19F2N3O2.C11H17N3O2/c1-19(2,3)26-18(25)23-10-9-15-14(11-23)22-17(24(15)12-16(20)21)13-7-5-4-6-8-13;1-19(2,3)26-18(25)23-10-9-14-15(11-23)24(12-16(20)21)17(22-14)13-7-5-4-6-8-13;1-13(2,3)21-12(20)18-5-4-9-8(6-18)17-11(14)19(9)7-10(15)16;1-13(2,3)21-12(20)18-5-4-8-9(6-18)19(7-10(15)16)11(14)17-8;1-13(2,3)20-12(19)17-5-4-10-9(6-17)16-8-18(10)7-11(14)15;1-13(2,3)20-12(19)17-5-4-9-10(6-17)18(8-16-9)7-11(14)15;1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h2*4-8,16H,9-12H2,1-3H3;2*10H,4-7H2,1-3H3;2*8,11H,4-7H2,1-3H3;7H,4-6H2,1-3H3,(H,12,13).

What are the key properties of tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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?

tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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 has a molecular weight of 2257.12 g/mol, XLogP of 21.21, 14 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-bromo-1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-bromo-3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 1-(2,2-difluoroethyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;tert-butyl 3-(2,2-difluoroethyl)-2-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 is sourced from PubChem (CID 158464310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).