4-tert-butyl-4H-imidazole

C7H12N2 — CID 58738294

IUPAC4-tert-butyl-4H-imidazole
SMILESCC(C)(C)C1C=NC=N1
InChIInChI=1S/C7H12N2/c1-7(2,3)6-4-8-5-9-6/h4-6H,1-3H3
InChIKeyMHYWGBPGOBZECW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.51
Rot. Bonds

About 4-tert-butyl-4H-imidazole

4-tert-butyl-4H-imidazole (PubChem CID 58738294) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-tert-butyl-4H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-4H-imidazole
PubChem CID58738294
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-tert-butyl-4H-imidazole
SMILESCC(C)(C)C1C=NC=N1
InChIInChI=1S/C7H12N2/c1-7(2,3)6-4-8-5-9-6/h4-6H,1-3H3
InChIKeyMHYWGBPGOBZECW-UHFFFAOYSA-N
XLogP1.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethyl 4h imidazole
CID 57536289
4-ethyl-4H-imidazole
CID 20716447
4,5-Dimethyl-4,5-dihydropyrimidine
CID 21336455
4-tert-butyl-2H-imidazole
CID 22975259
5-tert-butyl-4H-imidazole
CID 23573159
4-propan-2-yl-4H-imidazole
CID 57667177
2-tert-butyl-4H-imidazole
CID 57674492
4-tert-butyl-2-methyl-2H-imidazole
CID 58186444
(4R,5S)-4,5-dimethyl-4,5-dihydropyrimidine
CID 58230852
2-(2,2-dimethylpropyl)-4H-imidazole
CID 58530889
2,4-ditert-butyl-4H-imidazole
CID 59189498
(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine
CID 59584704

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4H-imidazole?
The IUPAC name of 4-tert-butyl-4H-imidazole (CID 58738294) is 4-tert-butyl-4H-imidazole.
What is the SMILES notation for 4-tert-butyl-4H-imidazole?
The canonical SMILES for 4-tert-butyl-4H-imidazole is CC(C)(C)C1C=NC=N1.
What is the InChIKey of 4-tert-butyl-4H-imidazole?
The InChIKey is MHYWGBPGOBZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2,3)6-4-8-5-9-6/h4-6H,1-3H3.
What are the key properties of 4-tert-butyl-4H-imidazole?
4-tert-butyl-4H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4H-imidazole is sourced from PubChem (CID 58738294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).