1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole

C19H17Cl2FN2O — CID 170562599

IUPAC1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
SMILESFc1ccccc1OCCC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c20-15-5-6-16(17(21)11-15)14(12-24-9-8-23-13-24)7-10-25-19-4-2-1-3-18(19)22/h1-6,8-9,11,13-14H,7,10,12H2
InChIKeyDKYSTWCAZCILOQ-UHFFFAOYSA-N
MW379.26 g/mol
LogP5.58
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole

1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole (PubChem CID 170562599) has the molecular formula C19H17Cl2FN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
PubChem CID170562599
Molecular FormulaC19H17Cl2FN2O
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
SMILESFc1ccccc1OCCC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c20-15-5-6-16(17(21)11-15)14(12-24-9-8-23-13-24)7-10-25-19-4-2-1-3-18(19)22/h1-6,8-9,11,13-14H,7,10,12H2
InChIKeyDKYSTWCAZCILOQ-UHFFFAOYSA-N
XLogP5.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
CID 10949425
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole (CID 170562599) is 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole is Fc1ccccc1OCCC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole?
The InChIKey is DKYSTWCAZCILOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O/c20-15-5-6-16(17(21)11-15)14(12-24-9-8-23-13-24)7-10-25-19-4-2-1-3-18(19)22/h1-6,8-9,11,13-14H,7,10,12H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole?
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole has a molecular weight of 379.26 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole is sourced from PubChem (CID 170562599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).