1-(3-phenylprop-1-en-2-yl)imidazole

C12H12N2 — CID 22115010

IUPAC1-(3-phenylprop-1-en-2-yl)imidazole
SMILESC=C(Cc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2/c1-11(14-8-7-13-10-14)9-12-5-3-2-4-6-12/h2-8,10H,1,9H2
InChIKeyOOBPVPUULURQLM-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.60
Rot. Bonds3

About 1-(3-phenylprop-1-en-2-yl)imidazole

1-(3-phenylprop-1-en-2-yl)imidazole (PubChem CID 22115010) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-phenylprop-1-en-2-yl)imidazole.

Molecular Properties

Compound Name1-(3-phenylprop-1-en-2-yl)imidazole
PubChem CID22115010
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1-(3-phenylprop-1-en-2-yl)imidazole
SMILESC=C(Cc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2/c1-11(14-8-7-13-10-14)9-12-5-3-2-4-6-12/h2-8,10H,1,9H2
InChIKeyOOBPVPUULURQLM-UHFFFAOYSA-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-(3-phenylprop-1-en-2-yl)imidazole?
The IUPAC name of 1-(3-phenylprop-1-en-2-yl)imidazole (CID 22115010) is 1-(3-phenylprop-1-en-2-yl)imidazole.
What is the SMILES notation for 1-(3-phenylprop-1-en-2-yl)imidazole?
The canonical SMILES for 1-(3-phenylprop-1-en-2-yl)imidazole is C=C(Cc1ccccc1)n1ccnc1.
What is the InChIKey of 1-(3-phenylprop-1-en-2-yl)imidazole?
The InChIKey is OOBPVPUULURQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-11(14-8-7-13-10-14)9-12-5-3-2-4-6-12/h2-8,10H,1,9H2.
What are the key properties of 1-(3-phenylprop-1-en-2-yl)imidazole?
1-(3-phenylprop-1-en-2-yl)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-(3-phenylprop-1-en-2-yl)imidazole is sourced from PubChem (CID 22115010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).