5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole

C19H19FN2 — CID 10541832

IUPAC5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole
SMILESFc1ccc(C(CCCc2ccccc2)c2cnc[nH]2)cc1
InChIInChI=1S/C19H19FN2/c20-17-11-9-16(10-12-17)18(19-13-21-14-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,18H,4,7-8H2,(H,21,22)
InChIKeyCIONUMSEWTUMLD-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.70
Rot. Bonds6

About 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole

5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole (PubChem CID 10541832) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole
PubChem CID10541832
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole
SMILESFc1ccc(C(CCCc2ccccc2)c2cnc[nH]2)cc1
InChIInChI=1S/C19H19FN2/c20-17-11-9-16(10-12-17)18(19-13-21-14-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,18H,4,7-8H2,(H,21,22)
InChIKeyCIONUMSEWTUMLD-UHFFFAOYSA-N
XLogP4.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole (CID 10541832) is 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole is Fc1ccc(C(CCCc2ccccc2)c2cnc[nH]2)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole?
The InChIKey is CIONUMSEWTUMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-17-11-9-16(10-12-17)18(19-13-21-14-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,18H,4,7-8H2,(H,21,22).
What are the key properties of 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole?
5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole has a molecular weight of 294.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-4-phenylbutyl]-1H-imidazole is sourced from PubChem (CID 10541832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).