6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole

C8H3BrCl4N2 — CID 177022096

IUPAC6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole
SMILESClc1cc(Br)cc2[nH]c(C(Cl)(Cl)Cl)nc12
InChIInChI=1S/C8H3BrCl4N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKeyCLUZMJNAHDKLDZ-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.81
Rot. Bonds

About 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole

6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole (PubChem CID 177022096) has the molecular formula C8H3BrCl4N2 and a molecular weight of 348.84 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole
PubChem CID177022096
Molecular FormulaC8H3BrCl4N2
Molecular Weight348.84 g/mol
Exact Mass345.82
IUPAC Name6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole
SMILESClc1cc(Br)cc2[nH]c(C(Cl)(Cl)Cl)nc12
InChIInChI=1S/C8H3BrCl4N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKeyCLUZMJNAHDKLDZ-UHFFFAOYSA-N
XLogP4.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole
CID 23131920
4-bromo-2-(trichloromethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 10177929
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
4-(6-bromo-4-chloro-1H-benzimidazol-2-yl)-3-chloroaniline
CID 91686539
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
CID 62819140
2,4,6-tribromo-1H-benzimidazole
CID 130864001
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole
CID 177022060
6-iodo-2-(trichloromethyl)-1H-benzimidazole
CID 23131927
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole (CID 177022096) is 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole is Clc1cc(Br)cc2[nH]c(C(Cl)(Cl)Cl)nc12.
What is the InChIKey of 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole?
The InChIKey is CLUZMJNAHDKLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl4N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole?
6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole has a molecular weight of 348.84 g/mol, XLogP of 4.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole is sourced from PubChem (CID 177022096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).