2-(chloromethyl)-5,6-difluoro-1H-benzimidazole

C8H5ClF2N2 — CID 18071312

IUPAC2-(chloromethyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CCl)[nH]c2cc1F
InChIInChI=1S/C8H5ClF2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)
InChIKeyXKSUDTNRLIXEFE-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.58
Rot. Bonds1

About 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole

2-(chloromethyl)-5,6-difluoro-1H-benzimidazole (PubChem CID 18071312) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5,6-difluoro-1H-benzimidazole
PubChem CID18071312
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name2-(chloromethyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CCl)[nH]c2cc1F
InChIInChI=1S/C8H5ClF2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)
InChIKeyXKSUDTNRLIXEFE-UHFFFAOYSA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole (CID 18071312) is 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(CCl)[nH]c2cc1F.
What is the InChIKey of 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is XKSUDTNRLIXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole?
2-(chloromethyl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 202.59 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 18071312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).