4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole

C15H14Cl2N2S — CID 104837676

IUPAC4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1C(C)c1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-9(16)15-18-14-11(17)5-3-6-12(14)19(15)10(2)13-7-4-8-20-13/h3-10H,1-2H3
InChIKeyJQJVJUBRMKXMLG-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.66
Rot. Bonds3

About 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole

4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole (PubChem CID 104837676) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole
PubChem CID104837676
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1C(C)c1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-9(16)15-18-14-11(17)5-3-6-12(14)19(15)10(2)13-7-4-8-20-13/h3-10H,1-2H3
InChIKeyJQJVJUBRMKXMLG-UHFFFAOYSA-N
XLogP5.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837422
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172
2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 62375834
4-chloro-2-(1-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838352
4-chloro-2-(chloromethyl)-1-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole
CID 104837884
2-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 113459123
2-(1-chloroethyl)-3-(1-thiophen-2-ylethyl)benzimidazole-5-carbonitrile
CID 104715446
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
4-chloro-2-(1-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005420
4-chloro-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 104838544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole (CID 104837676) is 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1C(C)c1cccs1.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole?
The InChIKey is JQJVJUBRMKXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-9(16)15-18-14-11(17)5-3-6-12(14)19(15)10(2)13-7-4-8-20-13/h3-10H,1-2H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole has a molecular weight of 325.26 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 104837676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).