2-(4-phenylbut-3-en-2-yl)-1H-imidazole

C13H14N2 — CID 70565796

IUPAC2-(4-phenylbut-3-en-2-yl)-1H-imidazole
SMILESCC(C=Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H14N2/c1-11(13-14-9-10-15-13)7-8-12-5-3-2-4-6-12/h2-11H,1H3,(H,14,15)
InChIKeyPRORDXLMQJZBNC-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-phenylbut-3-en-2-yl)-1H-imidazole

2-(4-phenylbut-3-en-2-yl)-1H-imidazole (PubChem CID 70565796) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(4-phenylbut-3-en-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-phenylbut-3-en-2-yl)-1H-imidazole
PubChem CID70565796
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-(4-phenylbut-3-en-2-yl)-1H-imidazole
SMILESCC(C=Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H14N2/c1-11(13-14-9-10-15-13)7-8-12-5-3-2-4-6-12/h2-11H,1H3,(H,14,15)
InChIKeyPRORDXLMQJZBNC-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbut-3-en-2-yl)-1H-imidazole?
The IUPAC name of 2-(4-phenylbut-3-en-2-yl)-1H-imidazole (CID 70565796) is 2-(4-phenylbut-3-en-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(4-phenylbut-3-en-2-yl)-1H-imidazole?
The canonical SMILES for 2-(4-phenylbut-3-en-2-yl)-1H-imidazole is CC(C=Cc1ccccc1)c1ncc[nH]1.
What is the InChIKey of 2-(4-phenylbut-3-en-2-yl)-1H-imidazole?
The InChIKey is PRORDXLMQJZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-11(13-14-9-10-15-13)7-8-12-5-3-2-4-6-12/h2-11H,1H3,(H,14,15).
What are the key properties of 2-(4-phenylbut-3-en-2-yl)-1H-imidazole?
2-(4-phenylbut-3-en-2-yl)-1H-imidazole has a molecular weight of 198.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbut-3-en-2-yl)-1H-imidazole is sourced from PubChem (CID 70565796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).