[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate

C19H16N2O2 — CID 75363236

IUPAC[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate
SMILESO=C(OC/C=C/c1ccccc1)c1cncn1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(23-13-7-10-16-8-3-1-4-9-16)18-14-20-15-21(18)17-11-5-2-6-12-17/h1-12,14-15H,13H2/b10-7+
InChIKeyGTSHELRNJGFIGZ-JXMROGBWSA-N
MW304.35 g/mol
LogP3.74
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate

[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate (PubChem CID 75363236) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate
PubChem CID75363236
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate
SMILESO=C(OC/C=C/c1ccccc1)c1cncn1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(23-13-7-10-16-8-3-1-4-9-16)18-14-20-15-21(18)17-11-5-2-6-12-17/h1-12,14-15H,13H2/b10-7+
InChIKeyGTSHELRNJGFIGZ-JXMROGBWSA-N
XLogP3.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
[(E)-3-phenylprop-2-enyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204640
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate (CID 75363236) is [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate is O=C(OC/C=C/c1ccccc1)c1cncn1-c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate?
The InChIKey is GTSHELRNJGFIGZ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(23-13-7-10-16-8-3-1-4-9-16)18-14-20-15-21(18)17-11-5-2-6-12-17/h1-12,14-15H,13H2/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate?
[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 75363236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).