(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one

C21H20N2O2 — CID 10688021

IUPAC(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
InChIKeyFNHGWTOPWMIMCK-MDWZMJQESA-N
MW332.40 g/mol
LogP4.32
Rot. Bonds8

About (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one

(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one (PubChem CID 10688021) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one
PubChem CID10688021
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
InChIKeyFNHGWTOPWMIMCK-MDWZMJQESA-N
XLogP4.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Ucl-1390
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1h-Imidazol-4-yl(4-methoxyphenyl)methanone
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Ciproxifan maleate
CID 16219152
(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)(cyclopropyl)methanone maleate
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4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275
(Z)-but-2-enedioic acid;(NE)-N-[[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methylidene]hydroxylamine
CID 44341015

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one (CID 10688021) is (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is FNHGWTOPWMIMCK-MDWZMJQESA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+.
What are the key properties of (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 332.40 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 10688021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).