3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one

C14H15N3O — CID 91468257

IUPAC3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)n1ccnc1-c1ccccc1
InChIInChI=1S/C14H15N3O/c1-16(2)10-8-13(18)17-11-9-15-14(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHZCUJMYHFGTWAY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.27
Rot. Bonds3

About 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one

3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one (PubChem CID 91468257) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one
PubChem CID91468257
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)n1ccnc1-c1ccccc1
InChIInChI=1S/C14H15N3O/c1-16(2)10-8-13(18)17-11-9-15-14(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHZCUJMYHFGTWAY-UHFFFAOYSA-N
XLogP2.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one (CID 91468257) is 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one is CN(C)C=CC(=O)n1ccnc1-c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is HZCUJMYHFGTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-16(2)10-8-13(18)17-11-9-15-14(17)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-phenylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 91468257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).