2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine

C65H72BBrCl2F4N12O5Si — CID 161190937

About 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine (PubChem CID 161190937) has the molecular formula C65H72BBrCl2F4N12O5Si and a molecular weight of 1367.07 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
• PubChem CID: 161190937
• Molecular Formula: C65H72BBrCl2F4N12O5Si
• Molecular Weight: 1367.07 g/mol
• Exact Mass: 1364.41
• IUPAC Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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(-c4nc[nH]c4-c4cc(Cl)c(F)cc4F)cc3c2)cn1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F
• InChI: InChI=1S/C24H23BrClF2N3OSi.C24H19ClF2N6.C17H30BN3O4/c1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22;1-28-4-5-33-12-17(11-32-33)16-7-15-6-14(2-3-22(15)29-10-16)23-24(31-13-30-23)18-8-19(25)21(27)9-20(18)26;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/h4-5,8-13H,6-7,14H2,1-3H3;2-3,6-13,28H,4-5H2,1H3,(H,30,31);11-12H,9-10H2,1-8H3
• InChIKey: UTSDEYOOPNXKTM-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 177.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.07
LogP ≤ 5	15.13
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': 'halogenated_ring_1', '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-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine (CID 161190937) is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine.

What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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(-c4nc[nH]c4-c4cc(Cl)c(F)cc4F)cc3c2)cn1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F.

What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

The InChIKey is UTSDEYOOPNXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClF2N3OSi.C24H19ClF2N6.C17H30BN3O4/c1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22;1-28-4-5-33-12-17(11-32-33)16-7-15-6-14(2-3-22(15)29-10-16)23-24(31-13-30-23)18-8-19(25)21(27)9-20(18)26;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/h4-5,8-13H,6-7,14H2,1-3H3;2-3,6-13,28H,4-5H2,1H3,(H,30,31);11-12H,9-10H2,1-8H3.

What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine?

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine has a molecular weight of 1367.07 g/mol, XLogP of 15.13, 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-(5-chloro-2,4-difluorophenyl)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-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 161190937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).