2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole

C15H11Cl2FN2 — CID 63545555

IUPAC2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H11Cl2FN2/c16-7-6-15-19-13-5-4-11(18)9-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2
InChIKeyVIDBELLZEDALRE-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.60
Rot. Bonds3

About 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole

2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole (PubChem CID 63545555) has the molecular formula C15H11Cl2FN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
PubChem CID63545555
Molecular FormulaC15H11Cl2FN2
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H11Cl2FN2/c16-7-6-15-19-13-5-4-11(18)9-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2
InChIKeyVIDBELLZEDALRE-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole (CID 63545555) is 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole is Fc1ccc2nc(CCCl)n(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The InChIKey is VIDBELLZEDALRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2/c16-7-6-15-19-13-5-4-11(18)9-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2.
What are the key properties of 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole has a molecular weight of 309.17 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole is sourced from PubChem (CID 63545555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).