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

C9H14N2 — CID 166836338

IUPAC5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C9H14N2/c1-6(2)8-5-10-9(11-8)7(3)4/h5-6H,3H2,1-2,4H3,(H,10,11)
InChIKeyAGZSPMGYDWVQKC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds2

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

5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole (PubChem CID 166836338) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole
PubChem CID166836338
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C9H14N2/c1-6(2)8-5-10-9(11-8)7(3)4/h5-6H,3H2,1-2,4H3,(H,10,11)
InChIKeyAGZSPMGYDWVQKC-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
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-2-prop-1-en-2-yl-1H-imidazole?
The IUPAC name of 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole (CID 166836338) is 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole.
What is the SMILES notation for 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole?
The canonical SMILES for 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole is C=C(C)c1ncc(C(C)C)[nH]1.
What is the InChIKey of 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole?
The InChIKey is AGZSPMGYDWVQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)8-5-10-9(11-8)7(3)4/h5-6H,3H2,1-2,4H3,(H,10,11).
What are the key properties of 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole?
5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole is sourced from PubChem (CID 166836338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).