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

C15H14Cl2N2S — CID 43666587

IUPAC7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCc1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-10(16)15-18-13-6-2-5-12(17)14(13)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3
InChIKeyVTPOSRNWIWAMLK-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.29
Rot. Bonds4

About 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 43666587) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID43666587
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCc1cccs1
InChIInChI=1S/C15H14Cl2N2S/c1-10(16)15-18-13-6-2-5-12(17)14(13)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3
InChIKeyVTPOSRNWIWAMLK-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

4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837422
2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 63239967
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914806
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
CID 43666388
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-thiophen-2-ylethyl)benzimidazole
CID 66100016
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (CID 43666587) is 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1CCc1cccs1.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is VTPOSRNWIWAMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-10(16)15-18-13-6-2-5-12(17)14(13)19(15)8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
7-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 7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 43666587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).