2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride

C9H8Cl2F2N2 — CID 20850021

IUPAC2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride
SMILESCl.FC(F)n1c(CCl)nc2ccccc21
InChIInChI=1S/C9H7ClF2N2.ClH/c10-5-8-13-6-3-1-2-4-7(6)14(8)9(11)12;/h1-4,9H,5H2;1H
InChIKeyLMLWIVPXSQASPD-UHFFFAOYSA-N
MW253.08 g/mol
LogP3.59
Rot. Bonds2

About 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride

2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride (PubChem CID 20850021) has the molecular formula C9H8Cl2F2N2 and a molecular weight of 253.08 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride
PubChem CID20850021
Molecular FormulaC9H8Cl2F2N2
Molecular Weight253.08 g/mol
Exact Mass252.00
IUPAC Name2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride
SMILESCl.FC(F)n1c(CCl)nc2ccccc21
InChIInChI=1S/C9H7ClF2N2.ClH/c10-5-8-13-6-3-1-2-4-7(6)14(8)9(11)12;/h1-4,9H,5H2;1H
InChIKeyLMLWIVPXSQASPD-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride (CID 20850021) is 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride is Cl.FC(F)n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride?
The InChIKey is LMLWIVPXSQASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2.ClH/c10-5-8-13-6-3-1-2-4-7(6)14(8)9(11)12;/h1-4,9H,5H2;1H.
What are the key properties of 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride?
2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride has a molecular weight of 253.08 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride is sourced from PubChem (CID 20850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).