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

C16H14Cl2N2 — CID 43667207

IUPAC5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2/c1-11-4-2-3-5-14(11)20-15-7-6-12(18)10-13(15)19-16(20)8-9-17/h2-7,10H,8-9H2,1H3
InChIKeyAHJVKRJBVMVESF-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.77
Rot. Bonds3

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

5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole (PubChem CID 43667207) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
PubChem CID43667207
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2/c1-11-4-2-3-5-14(11)20-15-7-6-12(18)10-13(15)19-16(20)8-9-17/h2-7,10H,8-9H2,1H3
InChIKeyAHJVKRJBVMVESF-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-chloro-2-(2-chloroethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66252376
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
1-(2-bromo-3-methylphenyl)-6-chloro-2-(2-chloroethyl)benzimidazole
CID 115471778
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole (CID 43667207) is 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole is Cc1ccccc1-n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole?
The InChIKey is AHJVKRJBVMVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-11-4-2-3-5-14(11)20-15-7-6-12(18)10-13(15)19-16(20)8-9-17/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole has a molecular weight of 305.21 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 43667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).