2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

C26H21Cl4FN2O — CID 66740452

IUPAC2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(Oc1ccc(Cl)c(Cl)c1)c1ncc(C(C)(C)c2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C26H21Cl4FN2O/c1-15(34-19-9-11-21(28)23(30)13-19)25-32-14-24(33(25)18-7-5-17(31)6-8-18)26(2,3)16-4-10-20(27)22(29)12-16/h4-15H,1-3H3
InChIKeyWRWCKVXIFCPIQB-UHFFFAOYSA-N
MW538.28 g/mol
LogP9.09
Rot. Bonds6

About 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 66740452) has the molecular formula C26H21Cl4FN2O and a molecular weight of 538.28 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID66740452
Molecular FormulaC26H21Cl4FN2O
Molecular Weight538.28 g/mol
Exact Mass536.04
IUPAC Name2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(Oc1ccc(Cl)c(Cl)c1)c1ncc(C(C)(C)c2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C26H21Cl4FN2O/c1-15(34-19-9-11-21(28)23(30)13-19)25-32-14-24(33(25)18-7-5-17(31)6-8-18)26(2,3)16-4-10-20(27)22(29)12-16/h4-15H,1-3H3
InChIKeyWRWCKVXIFCPIQB-UHFFFAOYSA-N
XLogP9.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.28
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (CID 66740452) is 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is CC(Oc1ccc(Cl)c(Cl)c1)c1ncc(C(C)(C)c2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is WRWCKVXIFCPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl4FN2O/c1-15(34-19-9-11-21(28)23(30)13-19)25-32-14-24(33(25)18-7-5-17(31)6-8-18)26(2,3)16-4-10-20(27)22(29)12-16/h4-15H,1-3H3.
What are the key properties of 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 538.28 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 66740452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).