2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole

C15H11ClF2N2 — CID 43660513

IUPAC2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C15H11ClF2N2/c1-9-6-10(17)2-4-13(9)20-14-5-3-11(18)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyBYQTUKHNRATHJB-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.35
Rot. Bonds2

About 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole

2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole (PubChem CID 43660513) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
PubChem CID43660513
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C15H11ClF2N2/c1-9-6-10(17)2-4-13(9)20-14-5-3-11(18)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyBYQTUKHNRATHJB-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.35
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-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole (CID 43660513) is 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole is Cc1cc(F)ccc1-n1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is BYQTUKHNRATHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9-6-10(17)2-4-13(9)20-14-5-3-11(18)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole has a molecular weight of 292.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 43660513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).