2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide

C12H12Cl2FN3O — CID 66111023

IUPAC2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1c(CCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H12Cl2FN3O/c1-12(2,11(16)19)18-9-4-7(15)6(14)3-8(9)17-10(18)5-13/h3-4H,5H2,1-2H3,(H2,16,19)
InChIKeyMFJWACRUZCKQCD-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.79
Rot. Bonds3

About 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide

2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide (PubChem CID 66111023) has the molecular formula C12H12Cl2FN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide
PubChem CID66111023
Molecular FormulaC12H12Cl2FN3O
Molecular Weight304.15 g/mol
Exact Mass303.03
IUPAC Name2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1c(CCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H12Cl2FN3O/c1-12(2,11(16)19)18-9-4-7(15)6(14)3-8(9)17-10(18)5-13/h3-4H,5H2,1-2H3,(H2,16,19)
InChIKeyMFJWACRUZCKQCD-UHFFFAOYSA-N
XLogP2.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.79
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

3-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097692
6-chloro-2-(chloromethyl)-5-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330381
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097630
3-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 66110041
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330234
5-bromo-2-(chloromethyl)-1-(3-ethylpentan-3-yl)-6-fluorobenzimidazole
CID 66088103
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 66111401
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethylurea
CID 83115130
5-chloro-2-(chloromethyl)-6-fluoro-1-hexan-3-ylbenzimidazole
CID 66109647
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-diethylethanamine
CID 66112168

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide (CID 66111023) is 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)n1c(CCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide?
The InChIKey is MFJWACRUZCKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3O/c1-12(2,11(16)19)18-9-4-7(15)6(14)3-8(9)17-10(18)5-13/h3-4H,5H2,1-2H3,(H2,16,19).
What are the key properties of 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide?
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide has a molecular weight of 304.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 66111023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).