1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride

C20H21Cl2FN2O — CID 25143074

IUPAC1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(COC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C20H20ClFN2O.ClH/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17;/h1-4,6-9,11-12,15,20H,5,10,13-14H2;1H
InChIKeyZPJCCTBJTKVUOQ-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.32
Rot. Bonds8

About 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride

1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride (PubChem CID 25143074) has the molecular formula C20H21Cl2FN2O and a molecular weight of 395.31 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride
PubChem CID25143074
Molecular FormulaC20H21Cl2FN2O
Molecular Weight395.31 g/mol
Exact Mass394.10
IUPAC Name1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(COC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C20H20ClFN2O.ClH/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17;/h1-4,6-9,11-12,15,20H,5,10,13-14H2;1H
InChIKeyZPJCCTBJTKVUOQ-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride (CID 25143074) is 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride is Cl.Fc1ccc(COC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride?
The InChIKey is ZPJCCTBJTKVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O.ClH/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17;/h1-4,6-9,11-12,15,20H,5,10,13-14H2;1H.
What are the key properties of 1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride?
1-[4-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride has a molecular weight of 395.31 g/mol, XLogP of 5.32, 8 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-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride is sourced from PubChem (CID 25143074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).