5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole

C20H21FN2O — CID 24743996

IUPAC5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole
SMILESFc1ccc(C(OCCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(16-6-2-1-3-7-16)24-13-5-4-8-19-14-22-15-23-19/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2,(H,22,23)
InChIKeyLUTDIWSOMRHKGZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.68
Rot. Bonds8

About 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole

5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole (PubChem CID 24743996) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole
PubChem CID24743996
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole
SMILESFc1ccc(C(OCCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(16-6-2-1-3-7-16)24-13-5-4-8-19-14-22-15-23-19/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2,(H,22,23)
InChIKeyLUTDIWSOMRHKGZ-UHFFFAOYSA-N
XLogP4.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.68
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
4-[3-(4-Bromobenzyloxy)propyl]-1H-imidazole
CID 6421294

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole?
The IUPAC name of 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole (CID 24743996) is 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole?
The canonical SMILES for 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole is Fc1ccc(C(OCCCCc2cnc[nH]2)c2ccccc2)cc1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole?
The InChIKey is LUTDIWSOMRHKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(16-6-2-1-3-7-16)24-13-5-4-8-19-14-22-15-23-19/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2,(H,22,23).
What are the key properties of 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole?
5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole has a molecular weight of 324.40 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole is sourced from PubChem (CID 24743996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).