(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide

C13H13N3O — CID 170877235

IUPAC(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1nccn1Cc1ccccc1
InChIInChI=1S/C13H13N3O/c14-12(17)6-7-13-15-8-9-16(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,17)/b7-6-
InChIKeyKUEVIVJXUXBEOU-SREVYHEPSA-N
MW227.27 g/mol
LogP1.43
Rot. Bonds4

About (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide

(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide (PubChem CID 170877235) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide
PubChem CID170877235
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1nccn1Cc1ccccc1
InChIInChI=1S/C13H13N3O/c14-12(17)6-7-13-15-8-9-16(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,17)/b7-6-
InChIKeyKUEVIVJXUXBEOU-SREVYHEPSA-N
XLogP1.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide (CID 170877235) is (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide is NC(=O)/C=C\c1nccn1Cc1ccccc1.
What is the InChIKey of (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide?
The InChIKey is KUEVIVJXUXBEOU-SREVYHEPSA-N. The full InChI is InChI=1S/C13H13N3O/c14-12(17)6-7-13-15-8-9-16(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,17)/b7-6-.
What are the key properties of (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide?
(Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide has a molecular weight of 227.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-benzylimidazol-2-yl)prop-2-enamide is sourced from PubChem (CID 170877235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).