(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide

C13H13N3O — CID 110470252

IUPAC(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h2-9H,1H3,(H,14,15)(H,16,17)/b3-2+
InChIKeyRUHSBWSCDQMPNP-NSCUHMNNSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds3

About (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide

(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide (PubChem CID 110470252) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
PubChem CID110470252
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h2-9H,1H3,(H,14,15)(H,16,17)/b3-2+
InChIKeyRUHSBWSCDQMPNP-NSCUHMNNSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879130
N-[4-(1H-imidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 76879147
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 60613344
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
CID 95687743
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]-2-(4-methylphenyl)acetamide
CID 110726544
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
CID 119871823
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451425

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide (CID 110470252) is (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide?
The InChIKey is RUHSBWSCDQMPNP-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h2-9H,1H3,(H,14,15)(H,16,17)/b3-2+.
What are the key properties of (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide?
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide has a molecular weight of 227.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide is sourced from PubChem (CID 110470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).