2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole

C17H16Cl2N2 — CID 107637799

IUPAC2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCCl)nc3cc(C)ccc32)c1
InChIInChI=1S/C17H16Cl2N2/c1-11-4-6-15-14(9-11)20-17(7-8-18)21(15)16-10-12(2)3-5-13(16)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGDLPBIUNYUGOKD-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.08
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole (PubChem CID 107637799) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
PubChem CID107637799
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCCl)nc3cc(C)ccc32)c1
InChIInChI=1S/C17H16Cl2N2/c1-11-4-6-15-14(9-11)20-17(7-8-18)21(15)16-10-12(2)3-5-13(16)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGDLPBIUNYUGOKD-UHFFFAOYSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole 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

2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole (CID 107637799) is 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole is Cc1ccc(Cl)c(-n2c(CCCl)nc3cc(C)ccc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole?
The InChIKey is GDLPBIUNYUGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-11-4-6-15-14(9-11)20-17(7-8-18)21(15)16-10-12(2)3-5-13(16)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole is sourced from PubChem (CID 107637799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).