1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole

C20H18ClFN2O2 — CID 138471445

IUPAC1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole
SMILESFc1cc(Cl)ccc1OCCOc1cccc(-n2ccnc2C2CC2)c1
InChIInChI=1S/C20H18ClFN2O2/c21-15-6-7-19(18(22)12-15)26-11-10-25-17-3-1-2-16(13-17)24-9-8-23-20(24)14-4-5-14/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeyKGADOQOBCWWEKZ-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.00
Rot. Bonds7

About 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole

1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole (PubChem CID 138471445) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole.

Molecular Properties

Compound Name1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole
PubChem CID138471445
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole
SMILESFc1cc(Cl)ccc1OCCOc1cccc(-n2ccnc2C2CC2)c1
InChIInChI=1S/C20H18ClFN2O2/c21-15-6-7-19(18(22)12-15)26-11-10-25-17-3-1-2-16(13-17)24-9-8-23-20(24)14-4-5-14/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeyKGADOQOBCWWEKZ-UHFFFAOYSA-N
XLogP5.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole?
The IUPAC name of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole (CID 138471445) is 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole.
What is the SMILES notation for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole?
The canonical SMILES for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole is Fc1cc(Cl)ccc1OCCOc1cccc(-n2ccnc2C2CC2)c1.
What is the InChIKey of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole?
The InChIKey is KGADOQOBCWWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-15-6-7-19(18(22)12-15)26-11-10-25-17-3-1-2-16(13-17)24-9-8-23-20(24)14-4-5-14/h1-3,6-9,12-14H,4-5,10-11H2.
What are the key properties of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole?
1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole has a molecular weight of 372.83 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-cyclopropylimidazole is sourced from PubChem (CID 138471445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).