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

C26H19FN8 — CID 59160543

IUPAC6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(-c4nn[nH]n4)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19FN8/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(12-16)26-32-34-35-33-26/h2-12,14H,13H2,1H3,(H,30,31)(H,32,33,34,35)
InChIKeyNUOODYCXSYUSIV-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.91
Rot. Bonds5

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

6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 59160543) has the molecular formula C26H19FN8 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID59160543
Molecular FormulaC26H19FN8
Molecular Weight462.49 g/mol
Exact Mass462.17
IUPAC Name6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(-c4nn[nH]n4)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19FN8/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(12-16)26-32-34-35-33-26/h2-12,14H,13H2,1H3,(H,30,31)(H,32,33,34,35)
InChIKeyNUOODYCXSYUSIV-UHFFFAOYSA-N
XLogP4.91
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 59160543) is 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(-c4nn[nH]n4)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is NUOODYCXSYUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8/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(12-16)26-32-34-35-33-26/h2-12,14H,13H2,1H3,(H,30,31)(H,32,33,34,35).
What are the key properties of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 462.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 59160543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).