1-[2-(4-fluorophenyl)propyl]imidazole

C12H13FN2 — CID 3006831

IUPAC1-[2-(4-fluorophenyl)propyl]imidazole
SMILESCC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyVLPGQKPLQFOSAY-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.83
Rot. Bonds3

About 1-[2-(4-fluorophenyl)propyl]imidazole

1-[2-(4-fluorophenyl)propyl]imidazole (PubChem CID 3006831) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propyl]imidazole
PubChem CID3006831
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-[2-(4-fluorophenyl)propyl]imidazole
SMILESCC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyVLPGQKPLQFOSAY-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propyl]imidazole?
The IUPAC name of 1-[2-(4-fluorophenyl)propyl]imidazole (CID 3006831) is 1-[2-(4-fluorophenyl)propyl]imidazole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propyl]imidazole?
The canonical SMILES for 1-[2-(4-fluorophenyl)propyl]imidazole is CC(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)propyl]imidazole?
The InChIKey is VLPGQKPLQFOSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)propyl]imidazole?
1-[2-(4-fluorophenyl)propyl]imidazole has a molecular weight of 204.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propyl]imidazole is sourced from PubChem (CID 3006831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).