4-(bromomethyl)-5-fluoro-1H-benzimidazole

C8H6BrFN2 — CID 130770591

IUPAC4-(bromomethyl)-5-fluoro-1H-benzimidazole
SMILESFc1ccc2[nH]cnc2c1CBr
InChIInChI=1S/C8H6BrFN2/c9-3-5-6(10)1-2-7-8(5)12-4-11-7/h1-2,4H,3H2,(H,11,12)
InChIKeyCAINAHHBMLTODH-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.60
Rot. Bonds1

About 4-(bromomethyl)-5-fluoro-1H-benzimidazole

4-(bromomethyl)-5-fluoro-1H-benzimidazole (PubChem CID 130770591) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 4-(bromomethyl)-5-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-fluoro-1H-benzimidazole
PubChem CID130770591
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name4-(bromomethyl)-5-fluoro-1H-benzimidazole
SMILESFc1ccc2[nH]cnc2c1CBr
InChIInChI=1S/C8H6BrFN2/c9-3-5-6(10)1-2-7-8(5)12-4-11-7/h1-2,4H,3H2,(H,11,12)
InChIKeyCAINAHHBMLTODH-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131092157
4-(bromomethyl)-5-(trifluoromethylsulfanyl)-1H-benzimidazole
CID 131305166
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
CID 143985988
4-ethyl-5-methyl-1H-benzimidazole
CID 130065712
(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
CID 131076999
4-(chloromethyl)-1H-benzimidazol-5-ol
CID 131027126
(5-sulfanyl-1H-benzimidazol-4-yl)methanol
CID 130981798
4,5-difluoro-1H-benzimidazole;penta-1,3-diyne
CID 160711396
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide
CID 166310601
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
CID 118330653

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-fluoro-1H-benzimidazole?
The IUPAC name of 4-(bromomethyl)-5-fluoro-1H-benzimidazole (CID 130770591) is 4-(bromomethyl)-5-fluoro-1H-benzimidazole.
What is the SMILES notation for 4-(bromomethyl)-5-fluoro-1H-benzimidazole?
The canonical SMILES for 4-(bromomethyl)-5-fluoro-1H-benzimidazole is Fc1ccc2[nH]cnc2c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-fluoro-1H-benzimidazole?
The InChIKey is CAINAHHBMLTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c9-3-5-6(10)1-2-7-8(5)12-4-11-7/h1-2,4H,3H2,(H,11,12).
What are the key properties of 4-(bromomethyl)-5-fluoro-1H-benzimidazole?
4-(bromomethyl)-5-fluoro-1H-benzimidazole has a molecular weight of 229.05 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-fluoro-1H-benzimidazole is sourced from PubChem (CID 130770591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).