2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide

C11H11ClFN3O — CID 43661029

IUPAC2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C11H11ClFN3O/c1-14-11(17)6-16-9-3-2-7(13)4-8(9)15-10(16)5-12/h2-4H,5-6H2,1H3,(H,14,17)
InChIKeyMMJJLNZNQIQIJZ-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide

2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 43661029) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
PubChem CID43661029
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C11H11ClFN3O/c1-14-11(17)6-16-9-3-2-7(13)4-8(9)15-10(16)5-12/h2-4H,5-6H2,1H3,(H,14,17)
InChIKeyMMJJLNZNQIQIJZ-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 43661209
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43661028
2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylacetamide
CID 66088312
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N,N-diethylacetamide
CID 82332381
N-tert-butyl-2-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]acetamide
CID 115357059
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 65345086
methyl 3-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61295205
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N-ethylacetamide
CID 43661207
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide (CID 43661029) is 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is MMJJLNZNQIQIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-14-11(17)6-16-9-3-2-7(13)4-8(9)15-10(16)5-12/h2-4H,5-6H2,1H3,(H,14,17).
What are the key properties of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide?
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 255.68 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 43661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).