4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C96H109BBrClF5N17O2 — CID 158590430

About 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158590430) has the molecular formula C96H109BBrClF5N17O2 and a molecular weight of 1754.20 g/mol. Its IUPAC name is 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
• PubChem CID: 158590430
• Molecular Formula: C96H109BBrClF5N17O2
• Molecular Weight: 1754.20 g/mol
• Exact Mass: 1751.78
• IUPAC Name: 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
• SMILES: CC1(C)OB(C2=CCCCC2)OC1(C)C.CN(c1cc2c(cn1)ncn2C)c1ccc(C2=CCCCC2)cc1F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CCCCC2)cc1F.Cn1cnc2cnc(Cl)cc21.Cn1cnc2cnc(Nc3ccc(C4=CCCCC4)cc3F)cc21.Nc1ccc(Br)cc1F.Nc1ccc(C2=CCCCC2)cc1F
• InChI: InChI=1S/C20H23FN4.C20H21FN4.C19H19FN4.C12H21BO2.C12H14FN.C7H6ClN3.C6H5BrFN/c2*1-24-13-23-17-12-22-20(11-19(17)24)25(2)18-9-8-15(10-16(18)21)14-6-4-3-5-7-14;1-24-12-22-17-11-21-19(10-18(17)24)23-16-8-7-14(9-15(16)20)13-5-3-2-4-6-13;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;1-11-4-10-5-3-9-7(8)2-6(5)11;7-4-1-2-6(9)5(8)3-4/h8-14H,3-7H2,1-2H3;6,8-13H,3-5,7H2,1-2H3;5,7-12H,2-4,6H2,1H3,(H,21,23);8H,5-7,9H2,1-4H3;4,6-8H,1-3,5,14H2;2-4H,1H3;1-3H,9H2
• InChIKey: HUJLTAFEVDSXQU-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 211.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1754.20
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The IUPAC name of 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158590430) is 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

What is the SMILES notation for 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The canonical SMILES for 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CC1(C)OB(C2=CCCCC2)OC1(C)C.CN(c1cc2c(cn1)ncn2C)c1ccc(C2=CCCCC2)cc1F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CCCCC2)cc1F.Cn1cnc2cnc(Cl)cc21.Cn1cnc2cnc(Nc3ccc(C4=CCCCC4)cc3F)cc21.Nc1ccc(Br)cc1F.Nc1ccc(C2=CCCCC2)cc1F.

What is the InChIKey of 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The InChIKey is HUJLTAFEVDSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4.C20H21FN4.C19H19FN4.C12H21BO2.C12H14FN.C7H6ClN3.C6H5BrFN/c2*1-24-13-23-17-12-22-20(11-19(17)24)25(2)18-9-8-15(10-16(18)21)14-6-4-3-5-7-14;1-24-12-22-17-11-21-19(10-18(17)24)23-16-8-7-14(9-15(16)20)13-5-3-2-4-6-13;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;1-11-4-10-5-3-9-7(8)2-6(5)11;7-4-1-2-6(9)5(8)3-4/h8-14H,3-7H2,1-2H3;6,8-13H,3-5,7H2,1-2H3;5,7-12H,2-4,6H2,1H3,(H,21,23);8H,5-7,9H2,1-4H3;4,6-8H,1-3,5,14H2;2-4H,1H3;1-3H,9H2.

What are the key properties of 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 1754.20 g/mol, XLogP of 24.84, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).