2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

C21H19FN2 — CID 11688296

IUPAC2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cccc2ccccc12
InChIInChI=1S/C21H19FN2/c22-20-10-4-9-19(21-23-13-14-24-21)18(20)12-11-16-7-3-6-15-5-1-2-8-17(15)16/h1-10H,11-14H2,(H,23,24)
InChIKeyJSLVWCGTBRKKEC-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.11
Rot. Bonds4

About 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11688296) has the molecular formula C21H19FN2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11688296
Molecular FormulaC21H19FN2
Molecular Weight318.39 g/mol
Exact Mass318.15
IUPAC Name2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cccc2ccccc12
InChIInChI=1S/C21H19FN2/c22-20-10-4-9-19(21-23-13-14-24-21)18(20)12-11-16-7-3-6-15-5-1-2-8-17(15)16/h1-10H,11-14H2,(H,23,24)
InChIKeyJSLVWCGTBRKKEC-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 11688296) is 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(C2=NCCN2)c1CCc1cccc2ccccc12.
What is the InChIKey of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JSLVWCGTBRKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2/c22-20-10-4-9-19(21-23-13-14-24-21)18(20)12-11-16-7-3-6-15-5-1-2-8-17(15)16/h1-10H,11-14H2,(H,23,24).
What are the key properties of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 318.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11688296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).