5-chloro-2-(chloromethylidene)benzimidazole

C8H4Cl2N2 — CID 141348406

IUPAC5-chloro-2-(chloromethylidene)benzimidazole
SMILESClC=C1N=c2ccc(Cl)cc2=N1
InChIInChI=1S/C8H4Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-4H
InChIKeyLXPHVQPIGKOPBW-UHFFFAOYSA-N
MW199.04 g/mol
LogP1.63
Rot. Bonds

About 5-chloro-2-(chloromethylidene)benzimidazole

5-chloro-2-(chloromethylidene)benzimidazole (PubChem CID 141348406) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 5-chloro-2-(chloromethylidene)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethylidene)benzimidazole
PubChem CID141348406
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name5-chloro-2-(chloromethylidene)benzimidazole
SMILESClC=C1N=c2ccc(Cl)cc2=N1
InChIInChI=1S/C8H4Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-4H
InChIKeyLXPHVQPIGKOPBW-UHFFFAOYSA-N
XLogP1.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethylidene)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethylidene)benzimidazole (CID 141348406) is 5-chloro-2-(chloromethylidene)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethylidene)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethylidene)benzimidazole is ClC=C1N=c2ccc(Cl)cc2=N1.
What is the InChIKey of 5-chloro-2-(chloromethylidene)benzimidazole?
The InChIKey is LXPHVQPIGKOPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-4H.
What are the key properties of 5-chloro-2-(chloromethylidene)benzimidazole?
5-chloro-2-(chloromethylidene)benzimidazole has a molecular weight of 199.04 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethylidene)benzimidazole is sourced from PubChem (CID 141348406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).