1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole

C14H7BrClF2IN2 — CID 104780041

IUPAC1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br
InChIInChI=1S/C14H7BrClF2IN2/c15-8-3-7(1-2-9(8)17)21-13-4-10(18)11(19)5-12(13)20-14(21)6-16/h1-5H,6H2
InChIKeyVNIVPKSOTRMYMC-UHFFFAOYSA-N
MW483.48 g/mol
LogP5.41
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole (PubChem CID 104780041) has the molecular formula C14H7BrClF2IN2 and a molecular weight of 483.48 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
PubChem CID104780041
Molecular FormulaC14H7BrClF2IN2
Molecular Weight483.48 g/mol
Exact Mass481.85
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br
InChIInChI=1S/C14H7BrClF2IN2/c15-8-3-7(1-2-9(8)17)21-13-4-10(18)11(19)5-12(13)20-14(21)6-16/h1-5H,6H2
InChIKeyVNIVPKSOTRMYMC-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)benzimidazole-5-carbonitrile
CID 104780013
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole (CID 104780041) is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole is Fc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The InChIKey is VNIVPKSOTRMYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF2IN2/c15-8-3-7(1-2-9(8)17)21-13-4-10(18)11(19)5-12(13)20-14(21)6-16/h1-5H,6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole has a molecular weight of 483.48 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole is sourced from PubChem (CID 104780041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).