N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C22H14F2N4O3 — CID 52711183

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1
InChIInChI=1S/C22H14F2N4O3/c23-12-5-7-15(24)14(9-12)21-26-16-8-6-13(10-17(16)27-21)25-20(29)11-28-18-3-1-2-4-19(18)31-22(28)30/h1-10H,11H2,(H,25,29)(H,26,27)
InChIKeyRQZLGGYKSLKZSD-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.05
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 52711183) has the molecular formula C22H14F2N4O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID52711183
Molecular FormulaC22H14F2N4O3
Molecular Weight420.38 g/mol
Exact Mass420.10
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1
InChIInChI=1S/C22H14F2N4O3/c23-12-5-7-15(24)14(9-12)21-26-16-8-6-13(10-17(16)27-21)25-20(29)11-28-18-3-1-2-4-19(18)31-22(28)30/h1-10H,11H2,(H,25,29)(H,26,27)
InChIKeyRQZLGGYKSLKZSD-UHFFFAOYSA-N
XLogP4.05
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 52711183) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RQZLGGYKSLKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O3/c23-12-5-7-15(24)14(9-12)21-26-16-8-6-13(10-17(16)27-21)25-20(29)11-28-18-3-1-2-4-19(18)31-22(28)30/h1-10H,11H2,(H,25,29)(H,26,27).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 420.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 52711183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).