6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole

C15H20Cl2N2 — CID 113316360

IUPAC6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2/c1-11(2)4-3-9-19-14-10-12(17)5-6-13(14)18-15(19)7-8-16/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyWEDSDWADFFCOFT-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.91
Rot. Bonds6

About 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole

6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole (PubChem CID 113316360) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
PubChem CID113316360
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2/c1-11(2)4-3-9-19-14-10-12(17)5-6-13(14)18-15(19)7-8-16/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyWEDSDWADFFCOFT-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
CID 66081071
6-chloro-2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115471182
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
6-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 115471520
2-(2-chloroethyl)-6-fluoro-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 62376014

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole (CID 113316360) is 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole is CC(C)CCCn1c(CCCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole?
The InChIKey is WEDSDWADFFCOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-11(2)4-3-9-19-14-10-12(17)5-6-13(14)18-15(19)7-8-16/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole?
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole has a molecular weight of 299.25 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole is sourced from PubChem (CID 113316360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).