(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine

C19H25N3O — CID 176869819

IUPAC(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine
SMILESCCCCCCOc1ccc(/N=C/C=C/c2nccn2C)cc1
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-16-23-18-11-9-17(10-12-18)20-13-7-8-19-21-14-15-22(19)2/h7-15H,3-6,16H2,1-2H3/b8-7+,20-13+
InChIKeyGNBNCBNDIFWPSM-AADYKHLVSA-N
MW311.43 g/mol
LogP4.79
Rot. Bonds9

About (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine

(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine (PubChem CID 176869819) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine
PubChem CID176869819
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine
SMILESCCCCCCOc1ccc(/N=C/C=C/c2nccn2C)cc1
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-16-23-18-11-9-17(10-12-18)20-13-7-8-19-21-14-15-22(19)2/h7-15H,3-6,16H2,1-2H3/b8-7+,20-13+
InChIKeyGNBNCBNDIFWPSM-AADYKHLVSA-N
XLogP4.79
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
2-(4-butoxyphenyl)iminoacetaldehyde
CID 58611116
bis(4-heptoxyphenyl)diazene
CID 13087198
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
1,4-dipentoxybenzene
CID 18314717
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine?
The IUPAC name of (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine (CID 176869819) is (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine is CCCCCCOc1ccc(/N=C/C=C/c2nccn2C)cc1.
What is the InChIKey of (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine?
The InChIKey is GNBNCBNDIFWPSM-AADYKHLVSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-5-6-16-23-18-11-9-17(10-12-18)20-13-7-8-19-21-14-15-22(19)2/h7-15H,3-6,16H2,1-2H3/b8-7+,20-13+.
What are the key properties of (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine?
(E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine has a molecular weight of 311.43 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hexoxyphenyl)-3-(1-methylimidazol-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 176869819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).