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

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Related Compounds

2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine
CID 134126957
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242
(1-benzyl-5-ethoxybenzimidazol-2-yl)methanethiol
CID 82334952
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909
[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756849
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
1-[4-[6-fluoro-2-(phenoxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]piperazin-1-yl]propan-2-one
CID 69343002

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).