4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline

C20H21N3O2 — CID 46913125

IUPAC4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline
SMILESCOc1cc(/C=C(\Cn2ccnc2)c2ccc(N)cc2)cc(OC)c1
InChIInChI=1S/C20H21N3O2/c1-24-19-10-15(11-20(12-19)25-2)9-17(13-23-8-7-22-14-23)16-3-5-18(21)6-4-16/h3-12,14H,13,21H2,1-2H3/b17-9+
InChIKeyIZBHUQXSCSKNPL-RQZCQDPDSA-N
MW335.41 g/mol
LogP3.72
Rot. Bonds6

About 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline

4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline (PubChem CID 46913125) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline
PubChem CID46913125
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline
SMILESCOc1cc(/C=C(\Cn2ccnc2)c2ccc(N)cc2)cc(OC)c1
InChIInChI=1S/C20H21N3O2/c1-24-19-10-15(11-20(12-19)25-2)9-17(13-23-8-7-22-14-23)16-3-5-18(21)6-4-16/h3-12,14H,13,21H2,1-2H3/b17-9+
InChIKeyIZBHUQXSCSKNPL-RQZCQDPDSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline?
The IUPAC name of 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline (CID 46913125) is 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline.
What is the SMILES notation for 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline?
The canonical SMILES for 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline is COc1cc(/C=C(\Cn2ccnc2)c2ccc(N)cc2)cc(OC)c1.
What is the InChIKey of 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline?
The InChIKey is IZBHUQXSCSKNPL-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-19-10-15(11-20(12-19)25-2)9-17(13-23-8-7-22-14-23)16-3-5-18(21)6-4-16/h3-12,14H,13,21H2,1-2H3/b17-9+.
What are the key properties of 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline?
4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline has a molecular weight of 335.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(3,5-dimethoxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]aniline is sourced from PubChem (CID 46913125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).