4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline

C18H20FN3O — CID 82252766

IUPAC4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(COc2ccc(C3=NCCN3)cc2F)cc1
InChIInChI=1S/C18H20FN3O/c1-22(2)15-6-3-13(4-7-15)12-23-17-8-5-14(11-16(17)19)18-20-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyJLOWZVOZIPCMCO-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.82
Rot. Bonds5

About 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline

4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline (PubChem CID 82252766) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline
PubChem CID82252766
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(COc2ccc(C3=NCCN3)cc2F)cc1
InChIInChI=1S/C18H20FN3O/c1-22(2)15-6-3-13(4-7-15)12-23-17-8-5-14(11-16(17)19)18-20-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyJLOWZVOZIPCMCO-UHFFFAOYSA-N
XLogP2.82
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]methyl]-N,N-dimethylaniline
CID 82240251
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-2-fluorophenyl]methoxy]-3-fluorobenzenecarboximidamide
CID 166781354
2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82239981
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline (CID 82252766) is 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline is CN(C)c1ccc(COc2ccc(C3=NCCN3)cc2F)cc1.
What is the InChIKey of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline?
The InChIKey is JLOWZVOZIPCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-22(2)15-6-3-13(4-7-15)12-23-17-8-5-14(11-16(17)19)18-20-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline?
4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline has a molecular weight of 313.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 82252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).