6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C25H18BrFN4 — CID 44546508

IUPAC6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(Br)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H18BrFN4/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-20(27)19(26)12-16/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyRJLYHNZEDDLHHK-UHFFFAOYSA-N
MW473.35 g/mol
LogP6.49
Rot. Bonds4

About 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44546508) has the molecular formula C25H18BrFN4 and a molecular weight of 473.35 g/mol. Its IUPAC name is 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44546508
Molecular FormulaC25H18BrFN4
Molecular Weight473.35 g/mol
Exact Mass472.07
IUPAC Name6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(Br)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H18BrFN4/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-20(27)19(26)12-16/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyRJLYHNZEDDLHHK-UHFFFAOYSA-N
XLogP6.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.35
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44546508) is 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(Br)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is RJLYHNZEDDLHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrFN4/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-20(27)19(26)12-16/h2-12,14H,13H2,1H3,(H,30,31).
What are the key properties of 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 473.35 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44546508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).