5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

C14H9BrClFN2 — CID 66085949

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1ccccc1
InChIInChI=1S/C14H9BrClFN2/c15-10-6-12-13(7-11(10)17)19(14(8-16)18-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyIVHNAEWMMCSUIM-UHFFFAOYSA-N
MW339.60 g/mol
LogP4.67
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole (PubChem CID 66085949) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
PubChem CID66085949
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1ccccc1
InChIInChI=1S/C14H9BrClFN2/c15-10-6-12-13(7-11(10)17)19(14(8-16)18-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyIVHNAEWMMCSUIM-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 54.67
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

5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole (CID 66085949) is 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole is Fc1cc2c(cc1Br)nc(CCl)n2-c1ccccc1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The InChIKey is IVHNAEWMMCSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c15-10-6-12-13(7-11(10)17)19(14(8-16)18-12)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole has a molecular weight of 339.60 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole is sourced from PubChem (CID 66085949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).