2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine

C65H76BBrCl2N12O5Si — CID 157228835

About 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine

2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine (PubChem CID 157228835) has the molecular formula C65H76BBrCl2N12O5Si and a molecular weight of 1295.11 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
• PubChem CID: 157228835
• Molecular Formula: C65H76BBrCl2N12O5Si
• Molecular Weight: 1295.11 g/mol
• Exact Mass: 1292.45
• IUPAC Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
• SMILES: CN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CNCCn1cc(-c2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)cc3c2)cn1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1
• InChI: InChI=1S/C24H25BrClN3OSi.C24H21ClN6.C17H30BN3O4/c1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-26-7-8-31-14-20(13-30-31)19-10-18-9-17(5-6-22(18)27-12-19)24-23(28-15-29-24)16-3-2-4-21(25)11-16;1-15(2,3)23-14(22)20(8)9-10-21-12-13(11-19-21)18-24-16(4,5)17(6,7)25-18/h4-8,11-15H,9-10,16H2,1-3H3;2-6,9-15,26H,7-8H2,1H3,(H,28,29);11-12H,9-10H2,1-8H3
• InChIKey: ATWHYUPXEJZKBN-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 177.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1295.11
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine (CID 157228835) is 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine.

What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine is CN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CNCCn1cc(-c2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)cc3c2)cn1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1.

What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The InChIKey is ATWHYUPXEJZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3OSi.C24H21ClN6.C17H30BN3O4/c1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-26-7-8-31-14-20(13-30-31)19-10-18-9-17(5-6-22(18)27-12-19)24-23(28-15-29-24)16-3-2-4-21(25)11-16;1-15(2,3)23-14(22)20(8)9-10-21-12-13(11-19-21)18-24-16(4,5)17(6,7)25-18/h4-8,11-15H,9-10,16H2,1-3H3;2-6,9-15,26H,7-8H2,1H3,(H,28,29);11-12H,9-10H2,1-8H3.

What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine has a molecular weight of 1295.11 g/mol, XLogP of 14.57, 17 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 157228835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).