[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate

C22H19F2N3O3S — CID 32929592

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1-c1nc(CC(=O)OCc2nc3ccccc3n2C(F)F)cs1
InChIInChI=1S/C22H19F2N3O3S/c1-2-29-18-10-6-3-7-15(18)21-25-14(13-31-21)11-20(28)30-12-19-26-16-8-4-5-9-17(16)27(19)22(23)24/h3-10,13,22H,2,11-12H2,1H3
InChIKeyZMJYAPGUVJAMAJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.24
Rot. Bonds8

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 32929592) has the molecular formula C22H19F2N3O3S and a molecular weight of 443.48 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID32929592
Molecular FormulaC22H19F2N3O3S
Molecular Weight443.48 g/mol
Exact Mass443.11
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1-c1nc(CC(=O)OCc2nc3ccccc3n2C(F)F)cs1
InChIInChI=1S/C22H19F2N3O3S/c1-2-29-18-10-6-3-7-15(18)21-25-14(13-31-21)11-20(28)30-12-19-26-16-8-4-5-9-17(16)27(19)22(23)24/h3-10,13,22H,2,11-12H2,1H3
InChIKeyZMJYAPGUVJAMAJ-UHFFFAOYSA-N
XLogP5.24
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 32929592) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate is CCOc1ccccc1-c1nc(CC(=O)OCc2nc3ccccc3n2C(F)F)cs1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZMJYAPGUVJAMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S/c1-2-29-18-10-6-3-7-15(18)21-25-14(13-31-21)11-20(28)30-12-19-26-16-8-4-5-9-17(16)27(19)22(23)24/h3-10,13,22H,2,11-12H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 443.48 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 32929592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).