3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide

C20H19N3O3 — CID 76879130

IUPAC3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-11-14(12-18(13-17)26-2)3-8-19(24)23-16-6-4-15(5-7-16)20-21-9-10-22-20/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPAFODQCWLKIKBQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.75
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide

3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide (PubChem CID 76879130) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
PubChem CID76879130
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-11-14(12-18(13-17)26-2)3-8-19(24)23-16-6-4-15(5-7-16)20-21-9-10-22-20/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPAFODQCWLKIKBQ-UHFFFAOYSA-N
XLogP3.75
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879101
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 60613245
N-[4-(1H-imidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 76879147
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 60613344
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
CID 59443460

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide (CID 76879130) is 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is PAFODQCWLKIKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-11-14(12-18(13-17)26-2)3-8-19(24)23-16-6-4-15(5-7-16)20-21-9-10-22-20/h3-13H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 76879130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).