1-[(E)-3-phenylprop-2-enyl]imidazole

C12H12N2 — CID 6443808

IUPAC1-[(E)-3-phenylprop-2-enyl]imidazole
SMILESC(=C/c1ccccc1)\Cn1ccnc1
InChIInChI=1S/C12H12N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-8,10-11H,9H2/b7-4+
InChIKeyVYBGVUDMBNKIDR-QPJJXVBHSA-N
MW184.24 g/mol
LogP2.60
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]imidazole

1-[(E)-3-phenylprop-2-enyl]imidazole (PubChem CID 6443808) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]imidazole
PubChem CID6443808
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1-[(E)-3-phenylprop-2-enyl]imidazole
SMILESC(=C/c1ccccc1)\Cn1ccnc1
InChIInChI=1S/C12H12N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-8,10-11H,9H2/b7-4+
InChIKeyVYBGVUDMBNKIDR-QPJJXVBHSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]imidazole?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]imidazole (CID 6443808) is 1-[(E)-3-phenylprop-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]imidazole is C(=C/c1ccccc1)\Cn1ccnc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]imidazole?
The InChIKey is VYBGVUDMBNKIDR-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-8,10-11H,9H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]imidazole?
1-[(E)-3-phenylprop-2-enyl]imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]imidazole is sourced from PubChem (CID 6443808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).