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

C24H21FN4O4 — CID 46228946

IUPAC3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H21FN4O4/c25-16-12-15(13-18(14-16)29-8-10-32-11-9-29)23(30)26-17-4-6-19(7-5-17)33-21-3-1-2-20-22(21)28-24(31)27-20/h1-7,12-14H,8-11H2,(H,26,30)(H2,27,28,31)
InChIKeyISQURPOARMBRSX-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.88
Rot. Bonds5

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

3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (PubChem CID 46228946) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
PubChem CID46228946
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H21FN4O4/c25-16-12-15(13-18(14-16)29-8-10-32-11-9-29)23(30)26-17-4-6-19(7-5-17)33-21-3-1-2-20-22(21)28-24(31)27-20/h1-7,12-14H,8-11H2,(H,26,30)(H2,27,28,31)
InChIKeyISQURPOARMBRSX-UHFFFAOYSA-N
XLogP3.88
TPSA99.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (CID 46228946) is 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The InChIKey is ISQURPOARMBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c25-16-12-15(13-18(14-16)29-8-10-32-11-9-29)23(30)26-17-4-6-19(7-5-17)33-21-3-1-2-20-22(21)28-24(31)27-20/h1-7,12-14H,8-11H2,(H,26,30)(H2,27,28,31).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide has a molecular weight of 448.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 46228946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).