6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline

C51H37BrClF3N8 — CID 157304392

IUPAC6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3nc(C)ccc3c2)n1.Clc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1
InChIInChI=1S/C27H21F3N4.C24H16BrClN4/c1-16-5-3-8-23(32-16)26-25(20-11-12-22-19(15-20)10-9-17(2)31-22)33-24(34-26)14-18-6-4-7-21(13-18)27(28,29)30;25-21-8-2-7-20(28-21)24-23(17-9-10-19-16(14-17)5-3-11-27-19)29-22(30-24)13-15-4-1-6-18(26)12-15/h3-13,15H,14H2,1-2H3,(H,33,34);1-12,14H,13H2,(H,29,30)
InChIKeyBCGYYKZBQMKDRL-UHFFFAOYSA-N
MW934.26 g/mol
LogP13.61
Rot. Bonds8

About 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline

6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 157304392) has the molecular formula C51H37BrClF3N8 and a molecular weight of 934.26 g/mol. Its IUPAC name is 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID157304392
Molecular FormulaC51H37BrClF3N8
Molecular Weight934.26 g/mol
Exact Mass932.20
IUPAC Name6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3nc(C)ccc3c2)n1.Clc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1
InChIInChI=1S/C27H21F3N4.C24H16BrClN4/c1-16-5-3-8-23(32-16)26-25(20-11-12-22-19(15-20)10-9-17(2)31-22)33-24(34-26)14-18-6-4-7-21(13-18)27(28,29)30;25-21-8-2-7-20(28-21)24-23(17-9-10-19-16(14-17)5-3-11-27-19)29-22(30-24)13-15-4-1-6-18(26)12-15/h3-13,15H,14H2,1-2H3,(H,33,34);1-12,14H,13H2,(H,29,30)
InChIKeyBCGYYKZBQMKDRL-UHFFFAOYSA-N
XLogP13.61
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.26
LogP ≤ 513.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline with MolForge

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Related Compounds

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-8-[[3-(trifluoromethyl)quinolin-6-yl]methyl]-7H-purin-6-amine
CID 124184073
6-[5-(6-bromopyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 44546131
6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline
CID 44546189
6-[5-(6-chloropyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 44546383
6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44546508
5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole
CID 70833733
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-8-[(3-chloroquinolin-6-yl)-difluoromethyl]-7H-purin-6-amine
CID 124183907
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-8-[[3-(trifluoromethyl)quinolin-6-yl]methyl]-7H-purin-6-amine
CID 124183942
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-8-[(3-chloroquinolin-6-yl)-fluoromethyl]-7H-purin-6-amine
CID 124184054
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-8-[[3-(trifluoromethyl)quinolin-6-yl]methyl]-7H-purin-6-amine
CID 139433794
6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-N-(2-piperazin-1-ylethyl)quinolin-3-amine
CID 146661687
6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
CID 146661776

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 157304392) is 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3nc(C)ccc3c2)n1.Clc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1.
What is the InChIKey of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is BCGYYKZBQMKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4.C24H16BrClN4/c1-16-5-3-8-23(32-16)26-25(20-11-12-22-19(15-20)10-9-17(2)31-22)33-24(34-26)14-18-6-4-7-21(13-18)27(28,29)30;25-21-8-2-7-20(28-21)24-23(17-9-10-19-16(14-17)5-3-11-27-19)29-22(30-24)13-15-4-1-6-18(26)12-15/h3-13,15H,14H2,1-2H3,(H,33,34);1-12,14H,13H2,(H,29,30).
What are the key properties of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 934.26 g/mol, XLogP of 13.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 157304392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).