4,5-dichloro-1-methylimidazole

C4H4Cl2N2 — CID 591536

IUPAC4,5-dichloro-1-methylimidazole
SMILESCn1cnc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKeyVVYQLPWYFQBZOL-UHFFFAOYSA-N
MW151.00 g/mol
LogP1.73
Rot. Bonds

About 4,5-dichloro-1-methylimidazole

4,5-dichloro-1-methylimidazole (PubChem CID 591536) has the molecular formula C4H4Cl2N2 and a molecular weight of 151.00 g/mol. Its IUPAC name is 4,5-dichloro-1-methylimidazole.

Molecular Properties

Compound Name4,5-dichloro-1-methylimidazole
PubChem CID591536
Molecular FormulaC4H4Cl2N2
Molecular Weight151.00 g/mol
Exact Mass149.98
IUPAC Name4,5-dichloro-1-methylimidazole
SMILESCn1cnc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKeyVVYQLPWYFQBZOL-UHFFFAOYSA-N
XLogP1.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methylimidazole?
The IUPAC name of 4,5-dichloro-1-methylimidazole (CID 591536) is 4,5-dichloro-1-methylimidazole.
What is the SMILES notation for 4,5-dichloro-1-methylimidazole?
The canonical SMILES for 4,5-dichloro-1-methylimidazole is Cn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-methylimidazole?
The InChIKey is VVYQLPWYFQBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3.
What are the key properties of 4,5-dichloro-1-methylimidazole?
4,5-dichloro-1-methylimidazole has a molecular weight of 151.00 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methylimidazole is sourced from PubChem (CID 591536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).