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

C25H18F2N4 — CID 44545576

IUPAC6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cc(F)cc(F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H18F2N4/c1-15-4-2-6-22(29-15)25-24(18-7-8-21-17(13-18)5-3-9-28-21)30-23(31-25)12-16-10-19(26)14-20(27)11-16/h2-11,13-14H,12H2,1H3,(H,30,31)
InChIKeyIKPVNNIDBJIWPR-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.86
Rot. Bonds4

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

6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44545576) has the molecular formula C25H18F2N4 and a molecular weight of 412.44 g/mol. Its IUPAC name is 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44545576
Molecular FormulaC25H18F2N4
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cc(F)cc(F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H18F2N4/c1-15-4-2-6-22(29-15)25-24(18-7-8-21-17(13-18)5-3-9-28-21)30-23(31-25)12-16-10-19(26)14-20(27)11-16/h2-11,13-14H,12H2,1H3,(H,30,31)
InChIKeyIKPVNNIDBJIWPR-UHFFFAOYSA-N
XLogP5.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44545576) is 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cc(F)cc(F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is IKPVNNIDBJIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4/c1-15-4-2-6-22(29-15)25-24(18-7-8-21-17(13-18)5-3-9-28-21)30-23(31-25)12-16-10-19(26)14-20(27)11-16/h2-11,13-14H,12H2,1H3,(H,30,31).
What are the key properties of 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 412.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3,5-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44545576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).