5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole

C20H21FN2O — CID 143536257

IUPAC5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole
SMILESCc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O/c1-15-4-6-16(7-5-15)20(17-8-10-18(21)11-9-17)24-12-2-3-19-13-22-14-23-19/h4-11,13-14,20H,2-3,12H2,1H3,(H,22,23)
InChIKeyZTSIJQOUGAGTHL-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.60
Rot. Bonds7

About 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole

5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole (PubChem CID 143536257) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole
PubChem CID143536257
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole
SMILESCc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O/c1-15-4-6-16(7-5-15)20(17-8-10-18(21)11-9-17)24-12-2-3-19-13-22-14-23-19/h4-11,13-14,20H,2-3,12H2,1H3,(H,22,23)
InChIKeyZTSIJQOUGAGTHL-UHFFFAOYSA-N
XLogP4.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 24825522
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-4-ylmethyl)-2-phenyl-piperidine
CID 11799022
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 24825524
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825525
(4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825526
5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
CID 6603881

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole (CID 143536257) is 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole is Cc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole?
The InChIKey is ZTSIJQOUGAGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-15-4-6-16(7-5-15)20(17-8-10-18(21)11-9-17)24-12-2-3-19-13-22-14-23-19/h4-11,13-14,20H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole?
5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole has a molecular weight of 324.40 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole is sourced from PubChem (CID 143536257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).