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

C13H15ClFN3O — CID 43661209

IUPAC2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C13H15ClFN3O/c1-2-5-16-13(19)8-18-11-4-3-9(15)6-10(11)17-12(18)7-14/h3-4,6H,2,5,7-8H2,1H3,(H,16,19)
InChIKeyWZFHTGZBKFYLJU-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.44
Rot. Bonds5

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

2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide (PubChem CID 43661209) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
PubChem CID43661209
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C13H15ClFN3O/c1-2-5-16-13(19)8-18-11-4-3-9(15)6-10(11)17-12(18)7-14/h3-4,6H,2,5,7-8H2,1H3,(H,16,19)
InChIKeyWZFHTGZBKFYLJU-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.44
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

1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
3-(1H-benzimidazol-1-yl)propanamide
CID 639428
N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957
2-Carbamoyl-1-methylbenzimidazole
CID 600256
Cyclohexyl-(1-methyl-1H-benzoimidazol-2-ylmethyl)-amine
CID 797055
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanamide
CID 225773
N-(1H-1,3-benzodiazol-2-ylmethyl)butanamide
CID 751089
N-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetamide
CID 1111771
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 1448986
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide
CID 2971924
N-cycloheptyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4520672
N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 4753644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide (CID 43661209) is 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide?
The InChIKey is WZFHTGZBKFYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-2-5-16-13(19)8-18-11-4-3-9(15)6-10(11)17-12(18)7-14/h3-4,6H,2,5,7-8H2,1H3,(H,16,19).
What are the key properties of 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide?
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide has a molecular weight of 283.73 g/mol, XLogP of 2.44, 5 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-propylacetamide is sourced from PubChem (CID 43661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).