2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole

C11H13FN2 — CID 84664038

IUPAC2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(C1=NCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-8(11-13-6-7-14-11)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyKYTDIOLYXGGQAB-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.93
Rot. Bonds2

About 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 84664038) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID84664038
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(C1=NCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-8(11-13-6-7-14-11)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyKYTDIOLYXGGQAB-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 84664038) is 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole is CC(C1=NCCN1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KYTDIOLYXGGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8(11-13-6-7-14-11)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 192.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 84664038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).