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

C15H12ClFN2O — CID 43660368

IUPAC2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C15H12ClFN2O/c1-20-12-5-3-11(4-6-12)19-14-7-2-10(17)8-13(14)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyWACJYQHETOXYMQ-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.91
Rot. Bonds3

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

2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole (PubChem CID 43660368) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
PubChem CID43660368
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C15H12ClFN2O/c1-20-12-5-3-11(4-6-12)19-14-7-2-10(17)8-13(14)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyWACJYQHETOXYMQ-UHFFFAOYSA-N
XLogP3.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43666703
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole (CID 43660368) is 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2c(CCl)nc3cc(F)ccc32)cc1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The InChIKey is WACJYQHETOXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-20-12-5-3-11(4-6-12)19-14-7-2-10(17)8-13(14)18-15(19)9-16/h2-8H,9H2,1H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole has a molecular weight of 290.73 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 43660368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).