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

C24H16F2N4O2 — CID 71554148

IUPACN-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(-c4cnco4)ccc32)c1
InChIInChI=1S/C24H16F2N4O2/c1-14(31)29-18-6-16(20-4-3-17(25)9-21(20)26)7-19(10-18)30-12-28-22-8-15(2-5-23(22)30)24-11-27-13-32-24/h2-13H,1H3,(H,29,31)
InChIKeyHFSBMQVCVSOULR-UHFFFAOYSA-N
MW430.41 g/mol
LogP5.58
Rot. Bonds4

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

N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide (PubChem CID 71554148) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide
PubChem CID71554148
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC NameN-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(-c4cnco4)ccc32)c1
InChIInChI=1S/C24H16F2N4O2/c1-14(31)29-18-6-16(20-4-3-17(25)9-21(20)26)7-19(10-18)30-12-28-22-8-15(2-5-23(22)30)24-11-27-13-32-24/h2-13H,1H3,(H,29,31)
InChIKeyHFSBMQVCVSOULR-UHFFFAOYSA-N
XLogP5.58
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.41
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide (CID 71554148) is N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide is CC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(-c4cnco4)ccc32)c1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is HFSBMQVCVSOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c1-14(31)29-18-6-16(20-4-3-17(25)9-21(20)26)7-19(10-18)30-12-28-22-8-15(2-5-23(22)30)24-11-27-13-32-24/h2-13H,1H3,(H,29,31).
What are the key properties of N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide?
N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 430.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-5-[5-(1,3-oxazol-5-yl)benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 71554148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).