N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide

C21H14BrF2N3O — CID 71656707

IUPACN-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C21H14BrF2N3O/c1-12(28)26-16-6-13(18-4-3-15(23)9-19(18)24)7-17(10-16)27-11-25-20-8-14(22)2-5-21(20)27/h2-11H,1H3,(H,26,28)
InChIKeyIPUFQXDDDYQBDC-UHFFFAOYSA-N
MW442.26 g/mol
LogP5.69
Rot. Bonds3

About N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide

N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide (PubChem CID 71656707) has the molecular formula C21H14BrF2N3O and a molecular weight of 442.26 g/mol. Its IUPAC name is N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide
PubChem CID71656707
Molecular FormulaC21H14BrF2N3O
Molecular Weight442.26 g/mol
Exact Mass441.03
IUPAC NameN-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C21H14BrF2N3O/c1-12(28)26-16-6-13(18-4-3-15(23)9-19(18)24)7-17(10-16)27-11-25-20-8-14(22)2-5-21(20)27/h2-11H,1H3,(H,26,28)
InChIKeyIPUFQXDDDYQBDC-UHFFFAOYSA-N
XLogP5.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.26
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide?
The IUPAC name of N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide (CID 71656707) is N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide is CC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(Br)ccc32)c1.
What is the InChIKey of N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide?
The InChIKey is IPUFQXDDDYQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrF2N3O/c1-12(28)26-16-6-13(18-4-3-15(23)9-19(18)24)7-17(10-16)27-11-25-20-8-14(22)2-5-21(20)27/h2-11H,1H3,(H,26,28).
What are the key properties of N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide?
N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide has a molecular weight of 442.26 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide is sourced from PubChem (CID 71656707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).