3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one

C72H62Cl3F5N16O4 — CID 161496585

About 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 161496585) has the molecular formula C72H62Cl3F5N16O4 and a molecular weight of 1416.74 g/mol. Its IUPAC name is 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one
• PubChem CID: 161496585
• Molecular Formula: C72H62Cl3F5N16O4
• Molecular Weight: 1416.74 g/mol
• Exact Mass: 1414.41
• IUPAC Name: 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one
• SMILES: COc1ccc(-n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCCF)c3cnccc32)cc1.O=c1n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc(F)cc1.O=c1n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc(F)nc1
• InChI: InChI=1S/C25H23ClFN5O2.C24H20ClF2N5O.C23H19ClF2N6O/c1-34-19-7-5-18(6-8-19)32-22-10-12-28-15-23(22)31(25(32)33)16-24-29-20-14-17(26)4-9-21(20)30(24)13-3-2-11-27;25-16-3-8-20-19(13-16)29-23(30(20)12-2-1-10-26)15-31-22-14-28-11-9-21(22)32(24(31)33)18-6-4-17(27)5-7-18;24-15-3-5-18-17(11-15)29-22(30(18)10-2-1-8-25)14-31-20-13-27-9-7-19(20)32(23(31)33)16-4-6-21(26)28-12-16/h4-10,12,14-15H,2-3,11,13,16H2,1H3;3-9,11,13-14H,1-2,10,12,15H2;3-7,9,11-13H,1-2,8,10,14H2
• InChIKey: WGHCVGYOJMEUHP-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 195.04 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.74
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one (CID 161496585) is 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one is COc1ccc(-n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCCF)c3cnccc32)cc1.O=c1n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc(F)cc1.O=c1n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc(F)nc1.

What is the InChIKey of 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one?

The InChIKey is WGHCVGYOJMEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2.C24H20ClF2N5O.C23H19ClF2N6O/c1-34-19-7-5-18(6-8-19)32-22-10-12-28-15-23(22)31(25(32)33)16-24-29-20-14-17(26)4-9-21(20)30(24)13-3-2-11-27;25-16-3-8-20-19(13-16)29-23(30(20)12-2-1-10-26)15-31-22-14-28-11-9-21(22)32(24(31)33)18-6-4-17(27)5-7-18;24-15-3-5-18-17(11-15)29-22(30(18)10-2-1-8-25)14-31-20-13-27-9-7-19(20)32(23(31)33)16-4-6-21(26)28-12-16/h4-10,12,14-15H,2-3,11,13,16H2,1H3;3-9,11,13-14H,1-2,10,12,15H2;3-7,9,11-13H,1-2,8,10,14H2.

What are the key properties of 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one?

3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1416.74 g/mol, XLogP of 14.65, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 161496585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).