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

C25H19FN4 — CID 44517806

IUPAC6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccccc3F)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H19FN4/c1-16-6-4-10-22(28-16)25-24(19-11-12-21-18(14-19)8-5-13-27-21)29-23(30-25)15-17-7-2-3-9-20(17)26/h2-14H,15H2,1H3,(H,29,30)
InChIKeyWYCQBIWEJILRMC-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.73
Rot. Bonds4

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

6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44517806) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44517806
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccccc3F)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H19FN4/c1-16-6-4-10-22(28-16)25-24(19-11-12-21-18(14-19)8-5-13-27-21)29-23(30-25)15-17-7-2-3-9-20(17)26/h2-14H,15H2,1H3,(H,29,30)
InChIKeyWYCQBIWEJILRMC-UHFFFAOYSA-N
XLogP5.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44517806) is 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccccc3F)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is WYCQBIWEJILRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c1-16-6-4-10-22(28-16)25-24(19-11-12-21-18(14-19)8-5-13-27-21)29-23(30-25)15-17-7-2-3-9-20(17)26/h2-14H,15H2,1H3,(H,29,30).
What are the key properties of 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 394.45 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44517806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).