2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide

C14H15ClFN3O — CID 43667749

IUPAC2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
SMILESCC(Cl)c1nc2cc(F)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C14H15ClFN3O/c1-8(15)14-18-11-6-9(16)2-5-12(11)19(14)7-13(20)17-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,20)
InChIKeyJMYHGHAEQIZPCP-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.75
Rot. Bonds4

About 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide

2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide (PubChem CID 43667749) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
PubChem CID43667749
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
SMILESCC(Cl)c1nc2cc(F)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C14H15ClFN3O/c1-8(15)14-18-11-6-9(16)2-5-12(11)19(14)7-13(20)17-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,20)
InChIKeyJMYHGHAEQIZPCP-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
2-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208
4-[2-(1-chloroethyl)benzimidazol-1-yl]-N-cyclopropylbutanamide
CID 79377840
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide (CID 43667749) is 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide is CC(Cl)c1nc2cc(F)ccc2n1CC(=O)NC1CC1.
What is the InChIKey of 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is JMYHGHAEQIZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(15)14-18-11-6-9(16)2-5-12(11)19(14)7-13(20)17-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,20).
What are the key properties of 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide?
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 295.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 43667749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).