1-[(E)-2-phenylethenyl]imidazole

C11H10N2 — CID 5374234

IUPAC1-[(E)-2-phenylethenyl]imidazole
SMILESC(=C/n1ccnc1)\c1ccccc1
InChIInChI=1S/C11H10N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-10H/b8-6+
InChIKeyNSAWYJIGEZYSEY-SOFGYWHQSA-N
MW170.22 g/mol
LogP2.51
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]imidazole

1-[(E)-2-phenylethenyl]imidazole (PubChem CID 5374234) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]imidazole.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]imidazole
PubChem CID5374234
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1-[(E)-2-phenylethenyl]imidazole
SMILESC(=C/n1ccnc1)\c1ccccc1
InChIInChI=1S/C11H10N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-10H/b8-6+
InChIKeyNSAWYJIGEZYSEY-SOFGYWHQSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]imidazole?
The IUPAC name of 1-[(E)-2-phenylethenyl]imidazole (CID 5374234) is 1-[(E)-2-phenylethenyl]imidazole.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]imidazole?
The canonical SMILES for 1-[(E)-2-phenylethenyl]imidazole is C(=C/n1ccnc1)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]imidazole?
The InChIKey is NSAWYJIGEZYSEY-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-10H/b8-6+.
What are the key properties of 1-[(E)-2-phenylethenyl]imidazole?
1-[(E)-2-phenylethenyl]imidazole has a molecular weight of 170.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]imidazole is sourced from PubChem (CID 5374234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).