1,4-dimethyl-2,5-di(propan-2-yl)imidazole

C11H20N2 — CID 59540235

IUPAC1,4-dimethyl-2,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)n(C)c1C(C)C
InChIInChI=1S/C11H20N2/c1-7(2)10-9(5)12-11(8(3)4)13(10)6/h7-8H,1-6H3
InChIKeyRDXLTLIERIFLLT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.98
Rot. Bonds2

About 1,4-dimethyl-2,5-di(propan-2-yl)imidazole

1,4-dimethyl-2,5-di(propan-2-yl)imidazole (PubChem CID 59540235) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,4-dimethyl-2,5-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2,5-di(propan-2-yl)imidazole
PubChem CID59540235
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,4-dimethyl-2,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)n(C)c1C(C)C
InChIInChI=1S/C11H20N2/c1-7(2)10-9(5)12-11(8(3)4)13(10)6/h7-8H,1-6H3
InChIKeyRDXLTLIERIFLLT-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,5-di(propan-2-yl)imidazole?
The IUPAC name of 1,4-dimethyl-2,5-di(propan-2-yl)imidazole (CID 59540235) is 1,4-dimethyl-2,5-di(propan-2-yl)imidazole.
What is the SMILES notation for 1,4-dimethyl-2,5-di(propan-2-yl)imidazole?
The canonical SMILES for 1,4-dimethyl-2,5-di(propan-2-yl)imidazole is Cc1nc(C(C)C)n(C)c1C(C)C.
What is the InChIKey of 1,4-dimethyl-2,5-di(propan-2-yl)imidazole?
The InChIKey is RDXLTLIERIFLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)10-9(5)12-11(8(3)4)13(10)6/h7-8H,1-6H3.
What are the key properties of 1,4-dimethyl-2,5-di(propan-2-yl)imidazole?
1,4-dimethyl-2,5-di(propan-2-yl)imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 59540235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).