N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide

C14H9F2N3O — CID 2115841

IUPACN-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9F2N3O/c15-9-5-8(6-10(16)7-9)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeySLMUREKHOWRHDT-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.09
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide

N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide (PubChem CID 2115841) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide
PubChem CID2115841
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC NameN-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9F2N3O/c15-9-5-8(6-10(16)7-9)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeySLMUREKHOWRHDT-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide (CID 2115841) is N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide?
The InChIKey is SLMUREKHOWRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-5-8(6-10(16)7-9)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide?
N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide has a molecular weight of 273.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 2115841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).