4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide

C13H15ClFN3O — CID 60863436

IUPAC4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cc(F)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H15ClFN3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19)
InChIKeyIVGRFLGOPAZNBI-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.74
Rot. Bonds5

About 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide

4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide (PubChem CID 60863436) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
PubChem CID60863436
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cc(F)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H15ClFN3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19)
InChIKeyIVGRFLGOPAZNBI-UHFFFAOYSA-N
XLogP2.74
TPSA60.91 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 ≤ 52.74
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

4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 43667749
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide?
The IUPAC name of 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide (CID 60863436) is 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide.
What is the SMILES notation for 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide?
The canonical SMILES for 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide is CC(Cl)c1nc2cc(F)ccc2n1CCCC(N)=O.
What is the InChIKey of 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide?
The InChIKey is IVGRFLGOPAZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19).
What are the key properties of 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide?
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide has a molecular weight of 283.73 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide is sourced from PubChem (CID 60863436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).