1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole

C25H22N2 — CID 19904258

IUPAC1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole
SMILESC(=C/C(c1ccccc1)c1ccccc1)\c1cncn1Cc1ccccc1
InChIInChI=1S/C25H22N2/c1-4-10-21(11-5-1)19-27-20-26-18-24(27)16-17-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,20,25H,19H2/b17-16+
InChIKeyUGIAQSUFYZSRCN-WUKNDPDISA-N
MW350.47 g/mol
LogP5.78
Rot. Bonds6

About 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole

1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole (PubChem CID 19904258) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole.

Molecular Properties

Compound Name1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole
PubChem CID19904258
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole
SMILESC(=C/C(c1ccccc1)c1ccccc1)\c1cncn1Cc1ccccc1
InChIInChI=1S/C25H22N2/c1-4-10-21(11-5-1)19-27-20-26-18-24(27)16-17-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,20,25H,19H2/b17-16+
InChIKeyUGIAQSUFYZSRCN-WUKNDPDISA-N
XLogP5.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole?
The IUPAC name of 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole (CID 19904258) is 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole.
What is the SMILES notation for 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole?
The canonical SMILES for 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole is C(=C/C(c1ccccc1)c1ccccc1)\c1cncn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole?
The InChIKey is UGIAQSUFYZSRCN-WUKNDPDISA-N. The full InChI is InChI=1S/C25H22N2/c1-4-10-21(11-5-1)19-27-20-26-18-24(27)16-17-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,20,25H,19H2/b17-16+.
What are the key properties of 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole?
1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole has a molecular weight of 350.47 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-3,3-diphenylprop-1-enyl]imidazole is sourced from PubChem (CID 19904258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).