1-tert-butyl-4,5-dichloroimidazole

C7H10Cl2N2 — CID 58911977

IUPAC1-tert-butyl-4,5-dichloroimidazole
SMILESCC(C)(C)n1cnc(Cl)c1Cl
InChIInChI=1S/C7H10Cl2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLCJRGCSQLCUIOS-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.94
Rot. Bonds

About 1-tert-butyl-4,5-dichloroimidazole

1-tert-butyl-4,5-dichloroimidazole (PubChem CID 58911977) has the molecular formula C7H10Cl2N2 and a molecular weight of 193.08 g/mol. Its IUPAC name is 1-tert-butyl-4,5-dichloroimidazole.

Molecular Properties

Compound Name1-tert-butyl-4,5-dichloroimidazole
PubChem CID58911977
Molecular FormulaC7H10Cl2N2
Molecular Weight193.08 g/mol
Exact Mass192.02
IUPAC Name1-tert-butyl-4,5-dichloroimidazole
SMILESCC(C)(C)n1cnc(Cl)c1Cl
InChIInChI=1S/C7H10Cl2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLCJRGCSQLCUIOS-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-dichloroimidazole?
The IUPAC name of 1-tert-butyl-4,5-dichloroimidazole (CID 58911977) is 1-tert-butyl-4,5-dichloroimidazole.
What is the SMILES notation for 1-tert-butyl-4,5-dichloroimidazole?
The canonical SMILES for 1-tert-butyl-4,5-dichloroimidazole is CC(C)(C)n1cnc(Cl)c1Cl.
What is the InChIKey of 1-tert-butyl-4,5-dichloroimidazole?
The InChIKey is LCJRGCSQLCUIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3.
What are the key properties of 1-tert-butyl-4,5-dichloroimidazole?
1-tert-butyl-4,5-dichloroimidazole has a molecular weight of 193.08 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-dichloroimidazole is sourced from PubChem (CID 58911977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).