2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole

C18H26F2N2O — CID 118724685

IUPAC2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCOc1ccc(F)c(C2=NCCN2)c1F
InChIInChI=1S/C18H26F2N2O/c1-2-3-4-5-6-7-8-13-23-15-10-9-14(19)16(17(15)20)18-21-11-12-22-18/h9-10H,2-8,11-13H2,1H3,(H,21,22)
InChIKeyFDAHBJUSKYXHDN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.44
Rot. Bonds10

About 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole

2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 118724685) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID118724685
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCOc1ccc(F)c(C2=NCCN2)c1F
InChIInChI=1S/C18H26F2N2O/c1-2-3-4-5-6-7-8-13-23-15-10-9-14(19)16(17(15)20)18-21-11-12-22-18/h9-10H,2-8,11-13H2,1H3,(H,21,22)
InChIKeyFDAHBJUSKYXHDN-UHFFFAOYSA-N
XLogP4.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole (CID 118724685) is 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole is CCCCCCCCCOc1ccc(F)c(C2=NCCN2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is FDAHBJUSKYXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-2-3-4-5-6-7-8-13-23-15-10-9-14(19)16(17(15)20)18-21-11-12-22-18/h9-10H,2-8,11-13H2,1H3,(H,21,22).
What are the key properties of 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 324.42 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 118724685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).