3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one

C18H17F3N2O4 — CID 91432228

IUPAC3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCCc1cc(-n2c(=O)[nH]c3c(O)c(C(F)(F)F)ccc32)c(OC)cc1OC
InChIInChI=1S/C18H17F3N2O4/c1-4-9-7-12(14(27-3)8-13(9)26-2)23-11-6-5-10(18(19,20)21)16(24)15(11)22-17(23)25/h5-8,24H,4H2,1-3H3,(H,22,25)
InChIKeySJBIRJNZSYFQQA-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.62
Rot. Bonds4

About 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 91432228) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID91432228
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCCc1cc(-n2c(=O)[nH]c3c(O)c(C(F)(F)F)ccc32)c(OC)cc1OC
InChIInChI=1S/C18H17F3N2O4/c1-4-9-7-12(14(27-3)8-13(9)26-2)23-11-6-5-10(18(19,20)21)16(24)15(11)22-17(23)25/h5-8,24H,4H2,1-3H3,(H,22,25)
InChIKeySJBIRJNZSYFQQA-UHFFFAOYSA-N
XLogP3.62
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one 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 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 91432228) is 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one is CCc1cc(-n2c(=O)[nH]c3c(O)c(C(F)(F)F)ccc32)c(OC)cc1OC.
What is the InChIKey of 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is SJBIRJNZSYFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-4-9-7-12(14(27-3)8-13(9)26-2)23-11-6-5-10(18(19,20)21)16(24)15(11)22-17(23)25/h5-8,24H,4H2,1-3H3,(H,22,25).
What are the key properties of 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 382.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,4-dimethoxyphenyl)-7-hydroxy-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 91432228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).