(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide

C13H10N4O — CID 56840682

IUPAC(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-n2ccnc2)cc1)C(N)=O
InChIInChI=1S/C13H10N4O/c14-8-11(13(15)18)7-10-1-3-12(4-2-10)17-6-5-16-9-17/h1-7,9H,(H2,15,18)/b11-7+
InChIKeyLESLPZATTNKXTF-YRNVUSSQSA-N
MW238.25 g/mol
LogP1.26
Rot. Bonds3

About (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide

(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide (PubChem CID 56840682) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
PubChem CID56840682
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-n2ccnc2)cc1)C(N)=O
InChIInChI=1S/C13H10N4O/c14-8-11(13(15)18)7-10-1-3-12(4-2-10)17-6-5-16-9-17/h1-7,9H,(H2,15,18)/b11-7+
InChIKeyLESLPZATTNKXTF-YRNVUSSQSA-N
XLogP1.26
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(3-imidazol-1-ylphenyl)prop-2-enamide
CID 52938385
3-(4-imidazol-1-ylphenyl)prop-2-enenitrile
CID 76913866
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
CID 72730801
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide
CID 75408017
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
CID 22631238
(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092939
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
(4E)-5-(4-imidazol-1-ylphenyl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one
CID 71462183
(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide (CID 56840682) is (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide is N#C/C(=C\c1ccc(-n2ccnc2)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide?
The InChIKey is LESLPZATTNKXTF-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H10N4O/c14-8-11(13(15)18)7-10-1-3-12(4-2-10)17-6-5-16-9-17/h1-7,9H,(H2,15,18)/b11-7+.
What are the key properties of (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide has a molecular weight of 238.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 56840682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).