1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole

C20H17FN4 — CID 50973717

IUPAC1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
SMILESCC(c1ccc(F)cc1)n1cnc(-c2ccccc2)c1-c1cnc[nH]1
InChIInChI=1S/C20H17FN4/c1-14(15-7-9-17(21)10-8-15)25-13-24-19(16-5-3-2-4-6-16)20(25)18-11-22-12-23-18/h2-14H,1H3,(H,22,23)
InChIKeyQJRYLLUNVYOGDY-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.69
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole

1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole (PubChem CID 50973717) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
PubChem CID50973717
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
SMILESCC(c1ccc(F)cc1)n1cnc(-c2ccccc2)c1-c1cnc[nH]1
InChIInChI=1S/C20H17FN4/c1-14(15-7-9-17(21)10-8-15)25-13-24-19(16-5-3-2-4-6-16)20(25)18-11-22-12-23-18/h2-14H,1H3,(H,22,23)
InChIKeyQJRYLLUNVYOGDY-UHFFFAOYSA-N
XLogP4.69
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole (CID 50973717) is 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole is CC(c1ccc(F)cc1)n1cnc(-c2ccccc2)c1-c1cnc[nH]1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The InChIKey is QJRYLLUNVYOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-14(15-7-9-17(21)10-8-15)25-13-24-19(16-5-3-2-4-6-16)20(25)18-11-22-12-23-18/h2-14H,1H3,(H,22,23).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole has a molecular weight of 332.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole is sourced from PubChem (CID 50973717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).