(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide

C14H15N3O — CID 5475190

IUPAC(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H15N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)(H,16,18)/b7-6+
InChIKeyHCENGXRZXKAJLN-VOTSOKGWSA-N
MW241.29 g/mol
LogP1.78
Rot. Bonds5

About (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 5475190) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID5475190
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H15N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)(H,16,18)/b7-6+
InChIKeyHCENGXRZXKAJLN-VOTSOKGWSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide (CID 5475190) is (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is HCENGXRZXKAJLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)(H,16,18)/b7-6+.
What are the key properties of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5475190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).