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

C11H11BrClN3O — CID 43661028

IUPAC2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C11H11BrClN3O/c1-14-11(17)6-16-9-3-2-7(12)4-8(9)15-10(16)5-13/h2-4H,5-6H2,1H3,(H,14,17)
InChIKeyQWYDMKYNWIZSLR-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.28
Rot. Bonds3

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

2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 43661028) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID43661028
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C11H11BrClN3O/c1-14-11(17)6-16-9-3-2-7(12)4-8(9)15-10(16)5-13/h2-4H,5-6H2,1H3,(H,14,17)
InChIKeyQWYDMKYNWIZSLR-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.28
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-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 65345086
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
CID 43661029
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylacetamide
CID 66088312
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N-ethylacetamide
CID 43661207
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346418
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
CID 106240670
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 43661209
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide (CID 43661028) is 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(CCl)nc2cc(Br)ccc21.
What is the InChIKey of 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is QWYDMKYNWIZSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-14-11(17)6-16-9-3-2-7(12)4-8(9)15-10(16)5-13/h2-4H,5-6H2,1H3,(H,14,17).
What are the key properties of 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide?
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 316.59 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 43661028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).