2-(trichloromethyl)-2H-benzimidazole

C8H5Cl3N2 — CID 70503094

IUPAC2-(trichloromethyl)-2H-benzimidazole
SMILESClC(Cl)(Cl)C1N=c2ccccc2=N1
InChIInChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H
InChIKeyIJEKYMPZOLYDBB-UHFFFAOYSA-N
MW235.50 g/mol
LogP1.64
Rot. Bonds

About 2-(trichloromethyl)-2H-benzimidazole

2-(trichloromethyl)-2H-benzimidazole (PubChem CID 70503094) has the molecular formula C8H5Cl3N2 and a molecular weight of 235.50 g/mol. Its IUPAC name is 2-(trichloromethyl)-2H-benzimidazole.

Molecular Properties

Compound Name2-(trichloromethyl)-2H-benzimidazole
PubChem CID70503094
Molecular FormulaC8H5Cl3N2
Molecular Weight235.50 g/mol
Exact Mass233.95
IUPAC Name2-(trichloromethyl)-2H-benzimidazole
SMILESClC(Cl)(Cl)C1N=c2ccccc2=N1
InChIInChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H
InChIKeyIJEKYMPZOLYDBB-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.50
LogP ≤ 51.64
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

2-chloro-2H-benzimidazole
CID 19783285
2-Chloro-2-methylbenzimidazole
CID 23320362
5,6-dichloro-2H-benzimidazole
CID 67811505
5-chloro-2H-indole
CID 67833629
2-methyl-2H-benzimidazole
CID 68857632
2H-benzimidazole-2-carbonitrile
CID 70461872
2-ethyl-2H-benzimidazole
CID 91423824
5-chloro-1,2-dimethyl-2H-benzimidazol-1-ium
CID 123170137
5-Chloro-2-(chloromethylidene)benzimidazole
CID 141348406
ethane;2-methyl-2H-benzimidazole
CID 144020976
2,2-Dichloroindole
CID 150158575
6-chloro-2H-indole;hydrochloride
CID 155344529

Frequently Asked Questions

What is the IUPAC name of 2-(trichloromethyl)-2H-benzimidazole?
The IUPAC name of 2-(trichloromethyl)-2H-benzimidazole (CID 70503094) is 2-(trichloromethyl)-2H-benzimidazole.
What is the SMILES notation for 2-(trichloromethyl)-2H-benzimidazole?
The canonical SMILES for 2-(trichloromethyl)-2H-benzimidazole is ClC(Cl)(Cl)C1N=c2ccccc2=N1.
What is the InChIKey of 2-(trichloromethyl)-2H-benzimidazole?
The InChIKey is IJEKYMPZOLYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H.
What are the key properties of 2-(trichloromethyl)-2H-benzimidazole?
2-(trichloromethyl)-2H-benzimidazole has a molecular weight of 235.50 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)-2H-benzimidazole is sourced from PubChem (CID 70503094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).