(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one

C19H16N2O2 — CID 101143613

IUPAC(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N2O2/c1-23-17-10-7-15(8-11-17)9-12-19(22)21-13-18(20-14-21)16-5-3-2-4-6-16/h2-14H,1H3/b12-9+
InChIKeyDOHBJUFXSSBSRZ-FMIVXFBMSA-N
MW304.35 g/mol
LogP3.91
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one (PubChem CID 101143613) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one
PubChem CID101143613
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N2O2/c1-23-17-10-7-15(8-11-17)9-12-19(22)21-13-18(20-14-21)16-5-3-2-4-6-16/h2-14H,1H3/b12-9+
InChIKeyDOHBJUFXSSBSRZ-FMIVXFBMSA-N
XLogP3.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)triazol-1-yl]-3-phenylprop-2-en-1-one
CID 176914126
(E)-3-(4-methoxyphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759826
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
(4-aminophenyl) 4-phenylimidazole-1-carboxylate
CID 145005774
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
2-[(4-methoxyphenyl)-(4-phenylimidazol-1-yl)methyl]propanedioic acid
CID 157433227
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
S-phenyl (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 102357044

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one (CID 101143613) is (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)n2cnc(-c3ccccc3)c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is DOHBJUFXSSBSRZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-17-10-7-15(8-11-17)9-12-19(22)21-13-18(20-14-21)16-5-3-2-4-6-16/h2-14H,1H3/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 101143613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).