6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

C15H11BrClFN2 — CID 65344878

IUPAC6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFN2/c16-11-5-6-13-14(7-11)20(15(8-17)19-13)9-10-3-1-2-4-12(10)18/h1-7H,8-9H2
InChIKeyGJGGARFSNYVWIR-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.72
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (PubChem CID 65344878) has the molecular formula C15H11BrClFN2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
PubChem CID65344878
Molecular FormulaC15H11BrClFN2
Molecular Weight353.62 g/mol
Exact Mass351.98
IUPAC Name6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFN2/c16-11-5-6-13-14(7-11)20(15(8-17)19-13)9-10-3-1-2-4-12(10)18/h1-7H,8-9H2
InChIKeyGJGGARFSNYVWIR-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
CID 63795004
6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 106036776
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)benzimidazole
CID 65346716
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
1-[(4-bromophenyl)methyl]-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111591
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
1-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole
CID 19806376
2-[[6-bromo-2-(chloromethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346277

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (CID 65344878) is 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is Fc1ccccc1Cn1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The InChIKey is GJGGARFSNYVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2/c16-11-5-6-13-14(7-11)20(15(8-17)19-13)9-10-3-1-2-4-12(10)18/h1-7H,8-9H2.
What are the key properties of 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole has a molecular weight of 353.62 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 65344878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).