1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole

C13H14N2 — CID 56648448

IUPAC1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
SMILESCc1ccc(/C=C/Cn2ccnc2)cc1
InChIInChI=1S/C13H14N2/c1-12-4-6-13(7-5-12)3-2-9-15-10-8-14-11-15/h2-8,10-11H,9H2,1H3/b3-2+
InChIKeyVFJDQVOLRZWWMC-NSCUHMNNSA-N
MW198.27 g/mol
LogP2.90
Rot. Bonds3

About 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole

1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole (PubChem CID 56648448) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
PubChem CID56648448
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
SMILESCc1ccc(/C=C/Cn2ccnc2)cc1
InChIInChI=1S/C13H14N2/c1-12-4-6-13(7-5-12)3-2-9-15-10-8-14-11-15/h2-8,10-11H,9H2,1H3/b3-2+
InChIKeyVFJDQVOLRZWWMC-NSCUHMNNSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The IUPAC name of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole (CID 56648448) is 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole is Cc1ccc(/C=C/Cn2ccnc2)cc1.
What is the InChIKey of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The InChIKey is VFJDQVOLRZWWMC-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H14N2/c1-12-4-6-13(7-5-12)3-2-9-15-10-8-14-11-15/h2-8,10-11H,9H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole has a molecular weight of 198.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole is sourced from PubChem (CID 56648448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).