[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate

C22H20FN3O3S — CID 46625082

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O3S/c1-2-20-25-18-5-3-4-6-19(18)26(20)11-22(27)29-12-16-14-30-21(24-16)13-28-17-9-7-15(23)8-10-17/h3-10,14H,2,11-13H2,1H3
InChIKeyVZYSDVPZCCWIDU-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.52
Rot. Bonds8

About [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate (PubChem CID 46625082) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate
PubChem CID46625082
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O3S/c1-2-20-25-18-5-3-4-6-19(18)26(20)11-22(27)29-12-16-14-30-21(24-16)13-28-17-9-7-15(23)8-10-17/h3-10,14H,2,11-13H2,1H3
InChIKeyVZYSDVPZCCWIDU-UHFFFAOYSA-N
XLogP4.52
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate (CID 46625082) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate is CCc1nc2ccccc2n1CC(=O)OCc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate?
The InChIKey is VZYSDVPZCCWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-2-20-25-18-5-3-4-6-19(18)26(20)11-22(27)29-12-16-14-30-21(24-16)13-28-17-9-7-15(23)8-10-17/h3-10,14H,2,11-13H2,1H3.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate has a molecular weight of 425.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-ethylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 46625082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).