5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole

C15H13Cl3N2S — CID 106037753

IUPAC5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCc1ccc(Cl)s1
InChIInChI=1S/C15H13Cl3N2S/c1-9(16)15-19-12-8-10(17)2-4-13(12)20(15)7-6-11-3-5-14(18)21-11/h2-5,8-9H,6-7H2,1H3
InChIKeyPRBMFGOEPYCNNT-UHFFFAOYSA-N
MW359.71 g/mol
LogP5.95
Rot. Bonds4

About 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole

5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole (PubChem CID 106037753) has the molecular formula C15H13Cl3N2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
PubChem CID106037753
Molecular FormulaC15H13Cl3N2S
Molecular Weight359.71 g/mol
Exact Mass357.99
IUPAC Name5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCc1ccc(Cl)s1
InChIInChI=1S/C15H13Cl3N2S/c1-9(16)15-19-12-8-10(17)2-4-13(12)20(15)7-6-11-3-5-14(18)21-11/h2-5,8-9H,6-7H2,1H3
InChIKeyPRBMFGOEPYCNNT-UHFFFAOYSA-N
XLogP5.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.71
LogP ≤ 55.95
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 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole (CID 106037753) is 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1CCc1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
The InChIKey is PRBMFGOEPYCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2S/c1-9(16)15-19-12-8-10(17)2-4-13(12)20(15)7-6-11-3-5-14(18)21-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole?
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole has a molecular weight of 359.71 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 106037753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).