1,4,5,5-tetramethyl-4H-imidazole

C7H14N2 — CID 91051049

IUPAC1,4,5,5-tetramethyl-4H-imidazole
SMILESCC1N=CN(C)C1(C)C
InChIInChI=1S/C7H14N2/c1-6-7(2,3)9(4)5-8-6/h5-6H,1-4H3
InChIKeyQCVAWCIHAKTICN-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.13
Rot. Bonds

About 1,4,5,5-tetramethyl-4H-imidazole

1,4,5,5-tetramethyl-4H-imidazole (PubChem CID 91051049) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,4,5,5-tetramethyl-4H-imidazole.

Molecular Properties

Compound Name1,4,5,5-tetramethyl-4H-imidazole
PubChem CID91051049
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,4,5,5-tetramethyl-4H-imidazole
SMILESCC1N=CN(C)C1(C)C
InChIInChI=1S/C7H14N2/c1-6-7(2,3)9(4)5-8-6/h5-6H,1-4H3
InChIKeyQCVAWCIHAKTICN-UHFFFAOYSA-N
XLogP1.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5-tetramethyl-4H-imidazole?
The IUPAC name of 1,4,5,5-tetramethyl-4H-imidazole (CID 91051049) is 1,4,5,5-tetramethyl-4H-imidazole.
What is the SMILES notation for 1,4,5,5-tetramethyl-4H-imidazole?
The canonical SMILES for 1,4,5,5-tetramethyl-4H-imidazole is CC1N=CN(C)C1(C)C.
What is the InChIKey of 1,4,5,5-tetramethyl-4H-imidazole?
The InChIKey is QCVAWCIHAKTICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-7(2,3)9(4)5-8-6/h5-6H,1-4H3.
What are the key properties of 1,4,5,5-tetramethyl-4H-imidazole?
1,4,5,5-tetramethyl-4H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5-tetramethyl-4H-imidazole is sourced from PubChem (CID 91051049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).