3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide

C21H13ClF3N3O4 — CID 46228618

IUPAC3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O4/c22-12-7-11(8-15(9-12)32-21(23,24)25)19(29)26-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)28-20(30)27-16/h1-10H,(H,26,29)(H2,27,28,30)
InChIKeyVOMNQGABWLLXIQ-UHFFFAOYSA-N
MW463.80 g/mol
LogP5.45
Rot. Bonds5

About 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide

3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide (PubChem CID 46228618) has the molecular formula C21H13ClF3N3O4 and a molecular weight of 463.80 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide
PubChem CID46228618
Molecular FormulaC21H13ClF3N3O4
Molecular Weight463.80 g/mol
Exact Mass463.05
IUPAC Name3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O4/c22-12-7-11(8-15(9-12)32-21(23,24)25)19(29)26-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)28-20(30)27-16/h1-10H,(H,26,29)(H2,27,28,30)
InChIKeyVOMNQGABWLLXIQ-UHFFFAOYSA-N
XLogP5.45
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide 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-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide?
The IUPAC name of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide (CID 46228618) is 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(Cl)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide?
The InChIKey is VOMNQGABWLLXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O4/c22-12-7-11(8-15(9-12)32-21(23,24)25)19(29)26-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)28-20(30)27-16/h1-10H,(H,26,29)(H2,27,28,30).
What are the key properties of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide?
3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide has a molecular weight of 463.80 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46228618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).