1-(3-phenylprop-2-enyl)imidazole;hydrochloride

C12H13ClN2 — CID 174925347

IUPAC1-(3-phenylprop-2-enyl)imidazole;hydrochloride
SMILESC(=Cc1ccccc1)Cn1ccnc1.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14;/h1-8,10-11H,9H2;1H
InChIKeyDABLZKWYAGFMCW-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.02
Rot. Bonds3

About 1-(3-phenylprop-2-enyl)imidazole;hydrochloride

1-(3-phenylprop-2-enyl)imidazole;hydrochloride (PubChem CID 174925347) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)imidazole;hydrochloride
PubChem CID174925347
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(3-phenylprop-2-enyl)imidazole;hydrochloride
SMILESC(=Cc1ccccc1)Cn1ccnc1.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14;/h1-8,10-11H,9H2;1H
InChIKeyDABLZKWYAGFMCW-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-imidazol-1-yl-4-phenylbut-3-en-2-one
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1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide
CID 6445350
benzaldehyde;1-benzylimidazole
CID 23446402
1-[(Z)-but-2-enyl]imidazole
CID 45087139
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
1-[2-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)imidazole;hydrochloride?
The IUPAC name of 1-(3-phenylprop-2-enyl)imidazole;hydrochloride (CID 174925347) is 1-(3-phenylprop-2-enyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)imidazole;hydrochloride?
The canonical SMILES for 1-(3-phenylprop-2-enyl)imidazole;hydrochloride is C(=Cc1ccccc1)Cn1ccnc1.Cl.
What is the InChIKey of 1-(3-phenylprop-2-enyl)imidazole;hydrochloride?
The InChIKey is DABLZKWYAGFMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.ClH/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14;/h1-8,10-11H,9H2;1H.
What are the key properties of 1-(3-phenylprop-2-enyl)imidazole;hydrochloride?
1-(3-phenylprop-2-enyl)imidazole;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 3.02, 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)imidazole;hydrochloride is sourced from PubChem (CID 174925347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).