2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide

C16H17N3O2 — CID 70494720

IUPAC2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1C1=NCC(=O)N1
InChIInChI=1S/C16H17N3O2/c1-3-9-19(10-4-2)16(21)13-8-6-5-7-12(13)15-17-11-14(20)18-15/h3-8H,1-2,9-11H2,(H,17,18,20)
InChIKeyVPYJNGKLMMQDJJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds6

About 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide

2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 70494720) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide
PubChem CID70494720
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1C1=NCC(=O)N1
InChIInChI=1S/C16H17N3O2/c1-3-9-19(10-4-2)16(21)13-8-6-5-7-12(13)15-17-11-14(20)18-15/h3-8H,1-2,9-11H2,(H,17,18,20)
InChIKeyVPYJNGKLMMQDJJ-UHFFFAOYSA-N
XLogP1.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide (CID 70494720) is 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccccc1C1=NCC(=O)N1.
What is the InChIKey of 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is VPYJNGKLMMQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-9-19(10-4-2)16(21)13-8-6-5-7-12(13)15-17-11-14(20)18-15/h3-8H,1-2,9-11H2,(H,17,18,20).
What are the key properties of 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide?
2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 70494720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).