5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole

C8H8Cl2N2 — CID 89347396

IUPAC5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole
SMILESCn1cnc2c1=CC(Cl)C(Cl)C=2
InChIInChI=1S/C8H8Cl2N2/c1-12-4-11-7-2-5(9)6(10)3-8(7)12/h2-6H,1H3
InChIKeyRZIQGWSCZWYQTF-UHFFFAOYSA-N
MW203.07 g/mol
LogP0.21
Rot. Bonds

About 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole

5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole (PubChem CID 89347396) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole
PubChem CID89347396
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole
SMILESCn1cnc2c1=CC(Cl)C(Cl)C=2
InChIInChI=1S/C8H8Cl2N2/c1-12-4-11-7-2-5(9)6(10)3-8(7)12/h2-6H,1H3
InChIKeyRZIQGWSCZWYQTF-UHFFFAOYSA-N
XLogP0.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 50.21
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 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole?
The IUPAC name of 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole (CID 89347396) is 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole is Cn1cnc2c1=CC(Cl)C(Cl)C=2.
What is the InChIKey of 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole?
The InChIKey is RZIQGWSCZWYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-12-4-11-7-2-5(9)6(10)3-8(7)12/h2-6H,1H3.
What are the key properties of 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole?
5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole has a molecular weight of 203.07 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 89347396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).