2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole

C12H14N2 — CID 12632092

IUPAC2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C(=C\C1=NCCN1)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+
InChIKeyLXKRFEKVPYXHKY-MDZDMXLPSA-N
MW186.26 g/mol
LogP2.09
Rot. Bonds2

About 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole

2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 12632092) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole
PubChem CID12632092
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C(=C\C1=NCCN1)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+
InChIKeyLXKRFEKVPYXHKY-MDZDMXLPSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine
CID 66864694
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole (CID 12632092) is 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole is C/C(=C\C1=NCCN1)c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LXKRFEKVPYXHKY-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+.
What are the key properties of 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole?
2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12632092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).