2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole

C15H14ClFN2S — CID 62375834

IUPAC2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1C(C)c1cccs1
InChIInChI=1S/C15H14ClFN2S/c1-9(16)15-18-12-6-5-11(17)8-13(12)19(15)10(2)14-4-3-7-20-14/h3-10H,1-2H3
InChIKeyZKIUDBZUGGDXDF-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.15
Rot. Bonds3

About 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole

2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole (PubChem CID 62375834) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
PubChem CID62375834
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1C(C)c1cccs1
InChIInChI=1S/C15H14ClFN2S/c1-9(16)15-18-12-6-5-11(17)8-13(12)19(15)10(2)14-4-3-7-20-14/h3-10H,1-2H3
InChIKeyZKIUDBZUGGDXDF-UHFFFAOYSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole (CID 62375834) is 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole is CC(Cl)c1nc2ccc(F)cc2n1C(C)c1cccs1.
What is the InChIKey of 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole?
The InChIKey is ZKIUDBZUGGDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c1-9(16)15-18-12-6-5-11(17)8-13(12)19(15)10(2)14-4-3-7-20-14/h3-10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole?
2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole has a molecular weight of 308.81 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 62375834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).