4-tert-butyl-2,3-dihydro-1H-imidazole

C7H14N2 — CID 89010445

IUPAC4-tert-butyl-2,3-dihydro-1H-imidazole
SMILESCC(C)(C)C1=CNCN1
InChIInChI=1S/C7H14N2/c1-7(2,3)6-4-8-5-9-6/h4,8-9H,5H2,1-3H3
InChIKeyZJZCCKYLYYALLK-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.02
Rot. Bonds

About 4-tert-butyl-2,3-dihydro-1H-imidazole

4-tert-butyl-2,3-dihydro-1H-imidazole (PubChem CID 89010445) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1H-imidazole
PubChem CID89010445
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-tert-butyl-2,3-dihydro-1H-imidazole
SMILESCC(C)(C)C1=CNCN1
InChIInChI=1S/C7H14N2/c1-7(2,3)6-4-8-5-9-6/h4,8-9H,5H2,1-3H3
InChIKeyZJZCCKYLYYALLK-UHFFFAOYSA-N
XLogP1.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1H-imidazole (CID 89010445) is 4-tert-butyl-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1H-imidazole is CC(C)(C)C1=CNCN1.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1H-imidazole?
The InChIKey is ZJZCCKYLYYALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,3)6-4-8-5-9-6/h4,8-9H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1H-imidazole?
4-tert-butyl-2,3-dihydro-1H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 89010445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).