2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide

C10H9BrFN3O — CID 70609776

IUPAC2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide
SMILESO=C(NC1=NCCN1)c1c(F)cccc1Br
InChIInChI=1S/C10H9BrFN3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyNPBWRJPIEJXSAY-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.28
Rot. Bonds1

About 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide

2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide (PubChem CID 70609776) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide
PubChem CID70609776
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide
SMILESO=C(NC1=NCCN1)c1c(F)cccc1Br
InChIInChI=1S/C10H9BrFN3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyNPBWRJPIEJXSAY-UHFFFAOYSA-N
XLogP1.28
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide (CID 70609776) is 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide is O=C(NC1=NCCN1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide?
The InChIKey is NPBWRJPIEJXSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16).
What are the key properties of 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide?
2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide has a molecular weight of 286.10 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 70609776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).