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

C60H43Br3F3N9 — CID 161307186

IUPAC6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline
SMILESCc1ccc2cc(-c3nc(Cc4cccc(Br)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.Cc1ccc2cc(-c3nc(Cc4cccc(C(F)(F)F)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.c1ccc2ncccc2c1
InChIInChI=1S/C26H18BrF3N4.C25H18Br2N4.C9H7N/c1-15-8-9-17-14-18(10-11-20(17)31-15)24-25(21-6-3-7-22(27)32-21)34-23(33-24)13-16-4-2-5-19(12-16)26(28,29)30;1-15-8-9-17-14-18(10-11-20(17)28-15)24-25(21-6-3-7-22(27)29-21)31-23(30-24)13-16-4-2-5-19(26)12-16;1-2-6-9-8(4-1)5-3-7-10-9/h2-12,14H,13H2,1H3,(H,33,34);2-12,14H,13H2,1H3,(H,30,31);1-7H
InChIKeyVIKINZLEOPLERQ-UHFFFAOYSA-N
MW1186.77 g/mol
LogP16.71
Rot. Bonds8

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

6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline (PubChem CID 161307186) has the molecular formula C60H43Br3F3N9 and a molecular weight of 1186.77 g/mol. Its IUPAC name is 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline.

Molecular Properties

Compound Name6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline
PubChem CID161307186
Molecular FormulaC60H43Br3F3N9
Molecular Weight1186.77 g/mol
Exact Mass1183.11
IUPAC Name6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline
SMILESCc1ccc2cc(-c3nc(Cc4cccc(Br)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.Cc1ccc2cc(-c3nc(Cc4cccc(C(F)(F)F)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.c1ccc2ncccc2c1
InChIInChI=1S/C26H18BrF3N4.C25H18Br2N4.C9H7N/c1-15-8-9-17-14-18(10-11-20(17)31-15)24-25(21-6-3-7-22(27)32-21)34-23(33-24)13-16-4-2-5-19(12-16)26(28,29)30;1-15-8-9-17-14-18(10-11-20(17)28-15)24-25(21-6-3-7-22(27)29-21)31-23(30-24)13-16-4-2-5-19(26)12-16;1-2-6-9-8(4-1)5-3-7-10-9/h2-12,14H,13H2,1H3,(H,33,34);2-12,14H,13H2,1H3,(H,30,31);1-7H
InChIKeyVIKINZLEOPLERQ-UHFFFAOYSA-N
XLogP16.71
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.77
LogP ≤ 516.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline?
The IUPAC name of 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline (CID 161307186) is 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline.
What is the SMILES notation for 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline?
The canonical SMILES for 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline is Cc1ccc2cc(-c3nc(Cc4cccc(Br)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.Cc1ccc2cc(-c3nc(Cc4cccc(C(F)(F)F)c4)[nH]c3-c3cccc(Br)n3)ccc2n1.c1ccc2ncccc2c1.
What is the InChIKey of 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline?
The InChIKey is VIKINZLEOPLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrF3N4.C25H18Br2N4.C9H7N/c1-15-8-9-17-14-18(10-11-20(17)31-15)24-25(21-6-3-7-22(27)32-21)34-23(33-24)13-16-4-2-5-19(12-16)26(28,29)30;1-15-8-9-17-14-18(10-11-20(17)28-15)24-25(21-6-3-7-22(27)29-21)31-23(30-24)13-16-4-2-5-19(26)12-16;1-2-6-9-8(4-1)5-3-7-10-9/h2-12,14H,13H2,1H3,(H,33,34);2-12,14H,13H2,1H3,(H,30,31);1-7H.
What are the key properties of 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline?
6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline has a molecular weight of 1186.77 g/mol, XLogP of 16.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline is sourced from PubChem (CID 161307186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).