6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole

C14H18Cl2N2O — CID 112741117

IUPAC6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole
SMILESCOC(C)Cn1c(CCCl)nc2ccc(Cl)c(C)c21
InChIInChI=1S/C14H18Cl2N2O/c1-9(19-3)8-18-13(6-7-15)17-12-5-4-11(16)10(2)14(12)18/h4-5,9H,6-8H2,1-3H3
InChIKeyPLFJEQDURUXMNF-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.81
Rot. Bonds5

About 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole

6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole (PubChem CID 112741117) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole
PubChem CID112741117
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole
SMILESCOC(C)Cn1c(CCCl)nc2ccc(Cl)c(C)c21
InChIInChI=1S/C14H18Cl2N2O/c1-9(19-3)8-18-13(6-7-15)17-12-5-4-11(16)10(2)14(12)18/h4-5,9H,6-8H2,1-3H3
InChIKeyPLFJEQDURUXMNF-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole (CID 112741117) is 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole is COC(C)Cn1c(CCCl)nc2ccc(Cl)c(C)c21.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole?
The InChIKey is PLFJEQDURUXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(19-3)8-18-13(6-7-15)17-12-5-4-11(16)10(2)14(12)18/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole?
6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole has a molecular weight of 301.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole is sourced from PubChem (CID 112741117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).