1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate

C19H15F5N2O3 — CID 55756648

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H15F5N2O3/c1-11(17-25-14-4-2-3-5-15(14)26(17)18(20)21)28-16(27)10-12-6-8-13(9-7-12)29-19(22,23)24/h2-9,11,18H,10H2,1H3
InChIKeyWEGZWXSVGJWFNB-UHFFFAOYSA-N
MW414.33 g/mol
LogP5.18
Rot. Bonds6

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate (PubChem CID 55756648) has the molecular formula C19H15F5N2O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate
PubChem CID55756648
Molecular FormulaC19H15F5N2O3
Molecular Weight414.33 g/mol
Exact Mass414.10
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H15F5N2O3/c1-11(17-25-14-4-2-3-5-15(14)26(17)18(20)21)28-16(27)10-12-6-8-13(9-7-12)29-19(22,23)24/h2-9,11,18H,10H2,1H3
InChIKeyWEGZWXSVGJWFNB-UHFFFAOYSA-N
XLogP5.18
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 4-(2,2-dimethylpropyl)benzoate
CID 166323021
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 55380808
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,5-difluorobenzoate
CID 18155838
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3-fluorobenzoate
CID 52548700
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(adamantane-1-carbonylamino)acetate
CID 55485926
[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 1-methylindole-3-carboxylate
CID 52532641
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylindole-3-carboxylate
CID 51110128
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 6-methylpyridine-2-carboxylate
CID 134001745
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55369561
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
CID 78799129

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate (CID 55756648) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate is CC(OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate?
The InChIKey is WEGZWXSVGJWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O3/c1-11(17-25-14-4-2-3-5-15(14)26(17)18(20)21)28-16(27)10-12-6-8-13(9-7-12)29-19(22,23)24/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate has a molecular weight of 414.33 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55756648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).