3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one

C18H16F3N3O4 — CID 142429544

IUPAC3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one
SMILESCn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(C(F)(F)F)cn3)ccc21
InChIInChI=1S/C18H16F3N3O4/c1-23-13-4-3-12(28-15-5-2-11(7-22-15)18(19,20)21)6-14(13)24(16(23)25)8-17(26)9-27-10-17/h2-7,26H,8-10H2,1H3
InChIKeyFESZBNIOFHBNDQ-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.31
Rot. Bonds4

About 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one

3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one (PubChem CID 142429544) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one.

Molecular Properties

Compound Name3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one
PubChem CID142429544
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one
SMILESCn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(C(F)(F)F)cn3)ccc21
InChIInChI=1S/C18H16F3N3O4/c1-23-13-4-3-12(28-15-5-2-11(7-22-15)18(19,20)21)6-14(13)24(16(23)25)8-17(26)9-27-10-17/h2-7,26H,8-10H2,1H3
InChIKeyFESZBNIOFHBNDQ-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]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-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one?
The IUPAC name of 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one (CID 142429544) is 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one.
What is the SMILES notation for 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one?
The canonical SMILES for 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one is Cn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(C(F)(F)F)cn3)ccc21.
What is the InChIKey of 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one?
The InChIKey is FESZBNIOFHBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-23-13-4-3-12(28-15-5-2-11(7-22-15)18(19,20)21)6-14(13)24(16(23)25)8-17(26)9-27-10-17/h2-7,26H,8-10H2,1H3.
What are the key properties of 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one?
3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one has a molecular weight of 395.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyoxetan-3-yl)methyl]-1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzimidazol-2-one is sourced from PubChem (CID 142429544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).