2,2,3,4,5-pentamethyl-4H-imidazole

C8H16N2 — CID 70230499

IUPAC2,2,3,4,5-pentamethyl-4H-imidazole
SMILESCC1=NC(C)(C)N(C)C1C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3,4)9-6/h7H,1-5H3
InChIKeyYDMDWHZBAUIIDG-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds

About 2,2,3,4,5-pentamethyl-4H-imidazole

2,2,3,4,5-pentamethyl-4H-imidazole (PubChem CID 70230499) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2,3,4,5-pentamethyl-4H-imidazole.

Molecular Properties

Compound Name2,2,3,4,5-pentamethyl-4H-imidazole
PubChem CID70230499
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,2,3,4,5-pentamethyl-4H-imidazole
SMILESCC1=NC(C)(C)N(C)C1C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3,4)9-6/h7H,1-5H3
InChIKeyYDMDWHZBAUIIDG-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5-pentamethyl-4H-imidazole?
The IUPAC name of 2,2,3,4,5-pentamethyl-4H-imidazole (CID 70230499) is 2,2,3,4,5-pentamethyl-4H-imidazole.
What is the SMILES notation for 2,2,3,4,5-pentamethyl-4H-imidazole?
The canonical SMILES for 2,2,3,4,5-pentamethyl-4H-imidazole is CC1=NC(C)(C)N(C)C1C.
What is the InChIKey of 2,2,3,4,5-pentamethyl-4H-imidazole?
The InChIKey is YDMDWHZBAUIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2)10(5)8(3,4)9-6/h7H,1-5H3.
What are the key properties of 2,2,3,4,5-pentamethyl-4H-imidazole?
2,2,3,4,5-pentamethyl-4H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5-pentamethyl-4H-imidazole is sourced from PubChem (CID 70230499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).