N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide

C14H9BrFN3O — CID 51229009

IUPACN-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O/c15-8-5-6-9(10(16)7-8)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyBAONYPQFAMSDSZ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.72
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide

N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide (PubChem CID 51229009) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
PubChem CID51229009
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O/c15-8-5-6-9(10(16)7-8)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyBAONYPQFAMSDSZ-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide (CID 51229009) is N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)cc1F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide?
The InChIKey is BAONYPQFAMSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-8-5-6-9(10(16)7-8)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)-4-bromo-2-fluorobenzamide?
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide has a molecular weight of 334.15 g/mol, XLogP of 3.72, 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)-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 51229009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).