1,2-ditert-butyl-4-chloro-5-methylimidazole

C12H21ClN2 — CID 71182156

IUPAC1,2-ditert-butyl-4-chloro-5-methylimidazole
SMILESCc1c(Cl)nc(C(C)(C)C)n1C(C)(C)C
InChIInChI=1S/C12H21ClN2/c1-8-9(13)14-10(11(2,3)4)15(8)12(5,6)7/h1-7H3
InChIKeyOMCXJPSDRRVVBT-UHFFFAOYSA-N
MW228.77 g/mol
LogP3.90
Rot. Bonds

About 1,2-ditert-butyl-4-chloro-5-methylimidazole

1,2-ditert-butyl-4-chloro-5-methylimidazole (PubChem CID 71182156) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-chloro-5-methylimidazole.

Molecular Properties

Compound Name1,2-ditert-butyl-4-chloro-5-methylimidazole
PubChem CID71182156
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name1,2-ditert-butyl-4-chloro-5-methylimidazole
SMILESCc1c(Cl)nc(C(C)(C)C)n1C(C)(C)C
InChIInChI=1S/C12H21ClN2/c1-8-9(13)14-10(11(2,3)4)15(8)12(5,6)7/h1-7H3
InChIKeyOMCXJPSDRRVVBT-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-chloro-5-methylimidazole?
The IUPAC name of 1,2-ditert-butyl-4-chloro-5-methylimidazole (CID 71182156) is 1,2-ditert-butyl-4-chloro-5-methylimidazole.
What is the SMILES notation for 1,2-ditert-butyl-4-chloro-5-methylimidazole?
The canonical SMILES for 1,2-ditert-butyl-4-chloro-5-methylimidazole is Cc1c(Cl)nc(C(C)(C)C)n1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-chloro-5-methylimidazole?
The InChIKey is OMCXJPSDRRVVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2/c1-8-9(13)14-10(11(2,3)4)15(8)12(5,6)7/h1-7H3.
What are the key properties of 1,2-ditert-butyl-4-chloro-5-methylimidazole?
1,2-ditert-butyl-4-chloro-5-methylimidazole has a molecular weight of 228.77 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-chloro-5-methylimidazole is sourced from PubChem (CID 71182156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).