5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole

C19H19F3N2O3 — CID 134126943

IUPAC5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
SMILESCCOc1ccc2c(c1)nc(COC)n2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-3-26-15-8-9-17-16(10-15)23-18(12-25-2)24(17)11-13-4-6-14(7-5-13)27-19(20,21)22/h4-10H,3,11-12H2,1-2H3
InChIKeyFYOAYVWJFGDOFZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.53
Rot. Bonds7

About 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole

5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole (PubChem CID 134126943) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
PubChem CID134126943
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
SMILESCCOc1ccc2c(c1)nc(COC)n2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-3-26-15-8-9-17-16(10-15)23-18(12-25-2)24(17)11-13-4-6-14(7-5-13)27-19(20,21)22/h4-10H,3,11-12H2,1-2H3
InChIKeyFYOAYVWJFGDOFZ-UHFFFAOYSA-N
XLogP4.53
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The IUPAC name of 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole (CID 134126943) is 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole.
What is the SMILES notation for 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The canonical SMILES for 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole is CCOc1ccc2c(c1)nc(COC)n2Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The InChIKey is FYOAYVWJFGDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-3-26-15-8-9-17-16(10-15)23-18(12-25-2)24(17)11-13-4-6-14(7-5-13)27-19(20,21)22/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole has a molecular weight of 380.37 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole is sourced from PubChem (CID 134126943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).