N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine

C17H20FN3O — CID 126490630

IUPACN-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine
SMILESC/C=C\c1[nH]c(CNCC)nc1/C=C/Oc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-3-5-15-16(21-17(20-15)12-19-4-2)10-11-22-14-8-6-13(18)7-9-14/h3,5-11,19H,4,12H2,1-2H3,(H,20,21)/b5-3-,11-10+
InChIKeyNXIHQTMCKFGAAP-OFSYMQIBSA-N
MW301.37 g/mol
LogP3.74
Rot. Bonds7

About N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine

N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine (PubChem CID 126490630) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine
PubChem CID126490630
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine
SMILESC/C=C\c1[nH]c(CNCC)nc1/C=C/Oc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-3-5-15-16(21-17(20-15)12-19-4-2)10-11-22-14-8-6-13(18)7-9-14/h3,5-11,19H,4,12H2,1-2H3,(H,20,21)/b5-3-,11-10+
InChIKeyNXIHQTMCKFGAAP-OFSYMQIBSA-N
XLogP3.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine (CID 126490630) is N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine is C/C=C\c1[nH]c(CNCC)nc1/C=C/Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine?
The InChIKey is NXIHQTMCKFGAAP-OFSYMQIBSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-5-15-16(21-17(20-15)12-19-4-2)10-11-22-14-8-6-13(18)7-9-14/h3,5-11,19H,4,12H2,1-2H3,(H,20,21)/b5-3-,11-10+.
What are the key properties of N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine?
N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine has a molecular weight of 301.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 126490630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).