1-(dichloromethyl)benzimidazole

C8H6Cl2N2 — CID 69189311

IUPAC1-(dichloromethyl)benzimidazole
SMILESClC(Cl)n1cnc2ccccc21
InChIInChI=1S/C8H6Cl2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h1-5,8H
InChIKeyGLLCWVWNWDAVSM-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.97
Rot. Bonds1

About 1-(dichloromethyl)benzimidazole

1-(dichloromethyl)benzimidazole (PubChem CID 69189311) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 1-(dichloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(dichloromethyl)benzimidazole
PubChem CID69189311
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name1-(dichloromethyl)benzimidazole
SMILESClC(Cl)n1cnc2ccccc21
InChIInChI=1S/C8H6Cl2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h1-5,8H
InChIKeyGLLCWVWNWDAVSM-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.97
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

1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
2-(benzimidazol-1-yl)-3-oxobutanoyl chloride
CID 141411413
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487
1-[(4-fluorophenyl)-phenylmethyl]benzimidazole
CID 54576777
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
3-(benzimidazol-1-yl)-3-phenylpropanethioamide
CID 62780306
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
CID 67626107
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
CID 79409526

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)benzimidazole?
The IUPAC name of 1-(dichloromethyl)benzimidazole (CID 69189311) is 1-(dichloromethyl)benzimidazole.
What is the SMILES notation for 1-(dichloromethyl)benzimidazole?
The canonical SMILES for 1-(dichloromethyl)benzimidazole is ClC(Cl)n1cnc2ccccc21.
What is the InChIKey of 1-(dichloromethyl)benzimidazole?
The InChIKey is GLLCWVWNWDAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h1-5,8H.
What are the key properties of 1-(dichloromethyl)benzimidazole?
1-(dichloromethyl)benzimidazole has a molecular weight of 201.06 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)benzimidazole is sourced from PubChem (CID 69189311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).