5-propan-2-yl-1H-imidazole

C6H10N2 — CID 11182587

IUPAC5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc[nH]1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyHINMGNHBDCADKG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.53
Rot. Bonds1

About 5-propan-2-yl-1H-imidazole

5-propan-2-yl-1H-imidazole (PubChem CID 11182587) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-propan-2-yl-1H-imidazole
PubChem CID11182587
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc[nH]1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyHINMGNHBDCADKG-UHFFFAOYSA-N
XLogP1.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-imidazole?
The IUPAC name of 5-propan-2-yl-1H-imidazole (CID 11182587) is 5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-propan-2-yl-1H-imidazole is CC(C)c1cnc[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-imidazole?
The InChIKey is HINMGNHBDCADKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of 5-propan-2-yl-1H-imidazole?
5-propan-2-yl-1H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 11182587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).