2-(chloromethylidene)benzimidazole

C8H5ClN2 — CID 141233786

IUPAC2-(chloromethylidene)benzimidazole
SMILESClC=C1N=c2ccccc2=N1
InChIInChI=1S/C8H5ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyYKPJCONMXFQFEB-UHFFFAOYSA-N
MW164.59 g/mol
LogP0.98
Rot. Bonds

About 2-(chloromethylidene)benzimidazole

2-(chloromethylidene)benzimidazole (PubChem CID 141233786) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-(chloromethylidene)benzimidazole.

Molecular Properties

Compound Name2-(chloromethylidene)benzimidazole
PubChem CID141233786
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name2-(chloromethylidene)benzimidazole
SMILESClC=C1N=c2ccccc2=N1
InChIInChI=1S/C8H5ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyYKPJCONMXFQFEB-UHFFFAOYSA-N
XLogP0.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethylidene)benzimidazole?
The IUPAC name of 2-(chloromethylidene)benzimidazole (CID 141233786) is 2-(chloromethylidene)benzimidazole.
What is the SMILES notation for 2-(chloromethylidene)benzimidazole?
The canonical SMILES for 2-(chloromethylidene)benzimidazole is ClC=C1N=c2ccccc2=N1.
What is the InChIKey of 2-(chloromethylidene)benzimidazole?
The InChIKey is YKPJCONMXFQFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of 2-(chloromethylidene)benzimidazole?
2-(chloromethylidene)benzimidazole has a molecular weight of 164.59 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylidene)benzimidazole is sourced from PubChem (CID 141233786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).