3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one

C17H15F3N2O2 — CID 155555643

IUPAC3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2ccc(OCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H15F3N2O2/c1-2-22-15-9-13(6-7-14(15)21-16(22)23)24-10-11-4-3-5-12(8-11)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyNXMNAPIMTCLKJF-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.95
Rot. Bonds4

About 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one

3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one (PubChem CID 155555643) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one
PubChem CID155555643
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2ccc(OCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H15F3N2O2/c1-2-22-15-9-13(6-7-14(15)21-16(22)23)24-10-11-4-3-5-12(8-11)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyNXMNAPIMTCLKJF-UHFFFAOYSA-N
XLogP3.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one?
The IUPAC name of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one (CID 155555643) is 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one?
The canonical SMILES for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2ccc(OCc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one?
The InChIKey is NXMNAPIMTCLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-2-22-15-9-13(6-7-14(15)21-16(22)23)24-10-11-4-3-5-12(8-11)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,23).
What are the key properties of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one?
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-one is sourced from PubChem (CID 155555643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).