1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole

C18H17FN2 — CID 25022443

IUPAC1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole
SMILESCCC(c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1
InChIInChI=1S/C18H17FN2/c1-2-18(21-12-11-20-13-21)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h3-13,18H,2H2,1H3
InChIKeyKLKPPBLZHPPOIH-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.69
Rot. Bonds4

About 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole

1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole (PubChem CID 25022443) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole
PubChem CID25022443
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole
SMILESCCC(c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1
InChIInChI=1S/C18H17FN2/c1-2-18(21-12-11-20-13-21)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h3-13,18H,2H2,1H3
InChIKeyKLKPPBLZHPPOIH-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole (CID 25022443) is 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole is CCC(c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole?
The InChIKey is KLKPPBLZHPPOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-18(21-12-11-20-13-21)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h3-13,18H,2H2,1H3.
What are the key properties of 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole?
1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole has a molecular weight of 280.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-fluorophenyl)phenyl]propyl]imidazole is sourced from PubChem (CID 25022443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).