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

C15H14Cl2N2S — CID 104837422

IUPAC4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-10(16)15-18-14-12(17)5-2-6-13(14)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3
InChIKeyNFXRWGUSOLYQNF-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.29
Rot. Bonds4

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

4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 104837422) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID104837422
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-10(16)15-18-14-12(17)5-2-6-13(14)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3
InChIKeyNFXRWGUSOLYQNF-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.29
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

7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 43666587
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
4-chloro-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 104838544
4-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
2-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 104837433
4-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494147
4-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 104837994
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole
CID 104837676
4-chloro-2-(1-chloroethyl)-1-(2-pyrrolidin-1-ylpropyl)benzimidazole
CID 104838530
4-[[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837876
1-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 104837988

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (CID 104837422) is 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1CCc1cccs1.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is NFXRWGUSOLYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-10(16)15-18-14-12(17)5-2-6-13(14)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole has a molecular weight of 325.26 g/mol, XLogP of 5.29, 4 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-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 104837422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).