5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H10BrFN2O — CID 61096909

IUPAC5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Br)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O/c15-13(8-2-1-3-10(16)6-8)9-4-5-11-12(7-9)18-14(19)17-11/h1-7,13H,(H2,17,18,19)
InChIKeyRGYJYMGRVIIQOR-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.48
Rot. Bonds2

About 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61096909) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61096909
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Br)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O/c15-13(8-2-1-3-10(16)6-8)9-4-5-11-12(7-9)18-14(19)17-11/h1-7,13H,(H2,17,18,19)
InChIKeyRGYJYMGRVIIQOR-UHFFFAOYSA-N
XLogP3.48
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096512
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61097913
5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186862
5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dihydrobenzimidazol-2-one
CID 103310702
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-(1-bromo-2-methylsulfonylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 113422361
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692
6-[bromo-(3-fluorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009227
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 61096909) is 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(Br)c3cccc(F)c3)cc2[nH]1.
What is the InChIKey of 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RGYJYMGRVIIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-13(8-2-1-3-10(16)6-8)9-4-5-11-12(7-9)18-14(19)17-11/h1-7,13H,(H2,17,18,19).
What are the key properties of 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 321.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).