5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole

C14H16N2 — CID 54522172

IUPAC5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole
SMILESCC(=Cc1cnc[nH]1)CCc1ccccc1
InChIInChI=1S/C14H16N2/c1-12(9-14-10-15-11-16-14)7-8-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,15,16)
InChIKeyYQOQCROXUVKUDF-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.45
Rot. Bonds4

About 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole

5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole (PubChem CID 54522172) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole
PubChem CID54522172
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole
SMILESCC(=Cc1cnc[nH]1)CCc1ccccc1
InChIInChI=1S/C14H16N2/c1-12(9-14-10-15-11-16-14)7-8-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,15,16)
InChIKeyYQOQCROXUVKUDF-UHFFFAOYSA-N
XLogP3.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole?
The IUPAC name of 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole (CID 54522172) is 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole.
What is the SMILES notation for 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole?
The canonical SMILES for 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole is CC(=Cc1cnc[nH]1)CCc1ccccc1.
What is the InChIKey of 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole?
The InChIKey is YQOQCROXUVKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-12(9-14-10-15-11-16-14)7-8-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,15,16).
What are the key properties of 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole?
5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-phenylbut-1-enyl)-1H-imidazole is sourced from PubChem (CID 54522172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).