1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole

C24H37FN2O — CID 21415077

IUPAC1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
SMILESCCCCCCCCCCCOC(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C24H37FN2O/c1-2-3-4-5-6-7-8-9-10-19-28-24(20-27-18-17-26-21-27)16-13-22-11-14-23(25)15-12-22/h11-12,14-15,17-18,21,24H,2-10,13,16,19-20H2,1H3
InChIKeyDSIWPWDHCRIRSV-UHFFFAOYSA-N
MW388.57 g/mol
LogP6.57
Rot. Bonds16

About 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole

1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole (PubChem CID 21415077) has the molecular formula C24H37FN2O and a molecular weight of 388.57 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
PubChem CID21415077
Molecular FormulaC24H37FN2O
Molecular Weight388.57 g/mol
Exact Mass388.29
IUPAC Name1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
SMILESCCCCCCCCCCCOC(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C24H37FN2O/c1-2-3-4-5-6-7-8-9-10-19-28-24(20-27-18-17-26-21-27)16-13-22-11-14-23(25)15-12-22/h11-12,14-15,17-18,21,24H,2-10,13,16,19-20H2,1H3
InChIKeyDSIWPWDHCRIRSV-UHFFFAOYSA-N
XLogP6.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280
1-[2-decoxy-3-[(4-fluorophenyl)methylsulfanyl]propyl]imidazole
CID 54081169
dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
CID 6333710
N-(8-heptadecan-9-yloxyoctyl)-N-(3-imidazol-1-ylpropyl)nonan-1-amine
CID 146179962
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[(E)-2-dodecoxy-4-phenylbut-3-enyl]imidazole
CID 21415287
N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline
CID 23350189
1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
CID 54487741
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
CID 23457747
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849
1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
CID 21402241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole (CID 21415077) is 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole is CCCCCCCCCCCOC(CCc1ccc(F)cc1)Cn1ccnc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole?
The InChIKey is DSIWPWDHCRIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN2O/c1-2-3-4-5-6-7-8-9-10-19-28-24(20-27-18-17-26-21-27)16-13-22-11-14-23(25)15-12-22/h11-12,14-15,17-18,21,24H,2-10,13,16,19-20H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole?
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole has a molecular weight of 388.57 g/mol, XLogP of 6.57, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole is sourced from PubChem (CID 21415077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).