6-chloro-1-methyl-2-(trichloromethyl)benzimidazole

C9H6Cl4N2 — CID 131628985

IUPAC6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
SMILESCn1c(C(Cl)(Cl)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C9H6Cl4N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3
InChIKeyWBYDSXFHPYTUHF-UHFFFAOYSA-N
MW283.97 g/mol
LogP4.05
Rot. Bonds

About 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole

6-chloro-1-methyl-2-(trichloromethyl)benzimidazole (PubChem CID 131628985) has the molecular formula C9H6Cl4N2 and a molecular weight of 283.97 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
PubChem CID131628985
Molecular FormulaC9H6Cl4N2
Molecular Weight283.97 g/mol
Exact Mass281.93
IUPAC Name6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
SMILESCn1c(C(Cl)(Cl)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C9H6Cl4N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3
InChIKeyWBYDSXFHPYTUHF-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 54.05
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

6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
1-tert-butyl-6-chloro-2-methylbenzimidazole
CID 20728140
1-methyl-5-nitroso-2-(trichloromethyl)benzimidazole
CID 174856951
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
CID 126726288
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole
CID 135325021
6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
CID 83450606

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole (CID 131628985) is 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole is Cn1c(C(Cl)(Cl)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole?
The InChIKey is WBYDSXFHPYTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3.
What are the key properties of 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole?
6-chloro-1-methyl-2-(trichloromethyl)benzimidazole has a molecular weight of 283.97 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(trichloromethyl)benzimidazole is sourced from PubChem (CID 131628985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).