7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole

C15H14Cl2N2S — CID 62843155

IUPAC7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C(C)c1ccsc1
InChIInChI=1S/C15H14Cl2N2S/c1-9(16)15-18-13-5-3-4-12(17)14(13)19(15)10(2)11-6-7-20-8-11/h3-10H,1-2H3
InChIKeyRZJNNGJXMOYFNX-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.66
Rot. Bonds3

About 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole (PubChem CID 62843155) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole
PubChem CID62843155
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C(C)c1ccsc1
InChIInChI=1S/C15H14Cl2N2S/c1-9(16)15-18-13-5-3-4-12(17)14(13)19(15)10(2)11-6-7-20-8-11/h3-10H,1-2H3
InChIKeyRZJNNGJXMOYFNX-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole (CID 62843155) is 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1C(C)c1ccsc1.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole?
The InChIKey is RZJNNGJXMOYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-9(16)15-18-13-5-3-4-12(17)14(13)19(15)10(2)11-6-7-20-8-11/h3-10H,1-2H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-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 7-chloro-2-(1-chloroethyl)-1-(1-thiophen-3-ylethyl)benzimidazole is sourced from PubChem (CID 62843155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).