2-propan-2-yl-4H-imidazole

C6H10N2 — CID 58671593

IUPAC2-propan-2-yl-4H-imidazole
SMILESCC(C)C1=NCC=N1
InChIInChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3
InChIKeyCEHWEXHPVPXSFK-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.13
Rot. Bonds1

About 2-propan-2-yl-4H-imidazole

2-propan-2-yl-4H-imidazole (PubChem CID 58671593) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-propan-2-yl-4H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-4H-imidazole
PubChem CID58671593
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-propan-2-yl-4H-imidazole
SMILESCC(C)C1=NCC=N1
InChIInChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3
InChIKeyCEHWEXHPVPXSFK-UHFFFAOYSA-N
XLogP1.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4H-imidazole?
The IUPAC name of 2-propan-2-yl-4H-imidazole (CID 58671593) is 2-propan-2-yl-4H-imidazole.
What is the SMILES notation for 2-propan-2-yl-4H-imidazole?
The canonical SMILES for 2-propan-2-yl-4H-imidazole is CC(C)C1=NCC=N1.
What is the InChIKey of 2-propan-2-yl-4H-imidazole?
The InChIKey is CEHWEXHPVPXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-4H-imidazole?
2-propan-2-yl-4H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4H-imidazole is sourced from PubChem (CID 58671593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).