1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole

C12H14N2 — CID 141320299

IUPAC1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole
SMILESC(=Cc1ccccc1)CN1C=NCC1
InChIInChI=1S/C12H14N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-7,11H,8-10H2
InChIKeyVTLLEYMBCVXROX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole

1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole (PubChem CID 141320299) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole
PubChem CID141320299
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole
SMILESC(=Cc1ccccc1)CN1C=NCC1
InChIInChI=1S/C12H14N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-7,11H,8-10H2
InChIKeyVTLLEYMBCVXROX-UHFFFAOYSA-N
XLogP2.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
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3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole (CID 141320299) is 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole is C(=Cc1ccccc1)CN1C=NCC1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole?
The InChIKey is VTLLEYMBCVXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-7,11H,8-10H2.
What are the key properties of 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole?
1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole has a molecular weight of 186.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141320299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).