2,4,4,5,5-pentamethyl-1H-imidazole

C8H16N2 — CID 23515963

IUPAC2,4,4,5,5-pentamethyl-1H-imidazole
SMILESCC1=NC(C)(C)C(C)(C)N1
InChIInChI=1S/C8H16N2/c1-6-9-7(2,3)8(4,5)10-6/h1-5H3,(H,9,10)
InChIKeyCXERWOCACKDMKD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds

About 2,4,4,5,5-pentamethyl-1H-imidazole

2,4,4,5,5-pentamethyl-1H-imidazole (PubChem CID 23515963) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-1H-imidazole.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-1H-imidazole
PubChem CID23515963
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,4,4,5,5-pentamethyl-1H-imidazole
SMILESCC1=NC(C)(C)C(C)(C)N1
InChIInChI=1S/C8H16N2/c1-6-9-7(2,3)8(4,5)10-6/h1-5H3,(H,9,10)
InChIKeyCXERWOCACKDMKD-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-1H-imidazole?
The IUPAC name of 2,4,4,5,5-pentamethyl-1H-imidazole (CID 23515963) is 2,4,4,5,5-pentamethyl-1H-imidazole.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-1H-imidazole?
The canonical SMILES for 2,4,4,5,5-pentamethyl-1H-imidazole is CC1=NC(C)(C)C(C)(C)N1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-1H-imidazole?
The InChIKey is CXERWOCACKDMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-9-7(2,3)8(4,5)10-6/h1-5H3,(H,9,10).
What are the key properties of 2,4,4,5,5-pentamethyl-1H-imidazole?
2,4,4,5,5-pentamethyl-1H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-1H-imidazole is sourced from PubChem (CID 23515963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).