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

C26H21FN4O — CID 44545506

IUPAC6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F
InChIInChI=1S/C26H21FN4O/c1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyKTEOCLCBVVGPDM-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.73
Rot. Bonds5

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

6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44545506) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44545506
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F
InChIInChI=1S/C26H21FN4O/c1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyKTEOCLCBVVGPDM-UHFFFAOYSA-N
XLogP5.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44545506) is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F.
What is the InChIKey of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is KTEOCLCBVVGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h3-13,15H,14H2,1-2H3,(H,30,31).
What are the key properties of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 424.48 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44545506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).