1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole

C24H35ClN2O — CID 54487741

IUPAC1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
SMILESCCCCCCCCCCCOC(C=Cc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C24H35ClN2O/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/h11-18,21,24H,2-10,19-20H2,1H3
InChIKeyXTNLEEPTFFULGI-UHFFFAOYSA-N
MW403.01 g/mol
LogP7.17
Rot. Bonds15

About 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole

1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole (PubChem CID 54487741) has the molecular formula C24H35ClN2O and a molecular weight of 403.01 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
PubChem CID54487741
Molecular FormulaC24H35ClN2O
Molecular Weight403.01 g/mol
Exact Mass402.24
IUPAC Name1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
SMILESCCCCCCCCCCCOC(C=Cc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C24H35ClN2O/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/h11-18,21,24H,2-10,19-20H2,1H3
InChIKeyXTNLEEPTFFULGI-UHFFFAOYSA-N
XLogP7.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.01
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-dodecoxy-4-phenylbut-3-enyl]imidazole
CID 21415287
1-[(E)-2-heptylsulfanyl-4-phenylbut-3-enyl]imidazole
CID 21415391
1-[2-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
CID 6476079
1-[4-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylbut-3-enyl]imidazole
CID 70630028
[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanoate
CID 21422355
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbut-3-enyl]imidazole
CID 54092527
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[2-[(4-chlorophenyl)methylsulfanyl]-3-hexylsulfanylpropyl]imidazole
CID 54114920
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
CID 21415077
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanethioate
CID 21422336
1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole (CID 54487741) is 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole is CCCCCCCCCCCOC(C=Cc1ccc(Cl)cc1)Cn1ccnc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole?
The InChIKey is XTNLEEPTFFULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O/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/h11-18,21,24H,2-10,19-20H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole?
1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole has a molecular weight of 403.01 g/mol, XLogP of 7.17, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole is sourced from PubChem (CID 54487741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).