ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate

C19H17F3N2O3 — CID 58517030

IUPACethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
SMILESCCOC(=O)c1cccc(-n2c(COC)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C19H17F3N2O3/c1-3-27-18(25)12-5-4-6-14(9-12)24-16-8-7-13(19(20,21)22)10-15(16)23-17(24)11-26-2/h4-10H,3,11H2,1-2H3
InChIKeyOYMVBMBHJXAHLQ-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.37
Rot. Bonds5

About ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate

ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate (PubChem CID 58517030) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
PubChem CID58517030
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Nameethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
SMILESCCOC(=O)c1cccc(-n2c(COC)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C19H17F3N2O3/c1-3-27-18(25)12-5-4-6-14(9-12)24-16-8-7-13(19(20,21)22)10-15(16)23-17(24)11-26-2/h4-10H,3,11H2,1-2H3
InChIKeyOYMVBMBHJXAHLQ-UHFFFAOYSA-N
XLogP4.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The IUPAC name of ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate (CID 58517030) is ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate.
What is the SMILES notation for ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The canonical SMILES for ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate is CCOC(=O)c1cccc(-n2c(COC)nc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The InChIKey is OYMVBMBHJXAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-3-27-18(25)12-5-4-6-14(9-12)24-16-8-7-13(19(20,21)22)10-15(16)23-17(24)11-26-2/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate?
ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate has a molecular weight of 378.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate is sourced from PubChem (CID 58517030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).