3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione

C15H16BrN3O2 — CID 18291300

IUPAC3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/C(Br)=C/c2ccccc2)C1=O
InChIInChI=1S/C15H16BrN3O2/c1-3-15(2)13(20)19(14(21)18-15)17-10-12(16)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)/b12-9-,17-10+
InChIKeyDMCGVMZJQZEXRZ-CVRKYSSXSA-N
MW350.22 g/mol
LogP3.13
Rot. Bonds4

About 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 18291300) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID18291300
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/C(Br)=C/c2ccccc2)C1=O
InChIInChI=1S/C15H16BrN3O2/c1-3-15(2)13(20)19(14(21)18-15)17-10-12(16)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)/b12-9-,17-10+
InChIKeyDMCGVMZJQZEXRZ-CVRKYSSXSA-N
XLogP3.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 18291300) is 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(/N=C/C(Br)=C/c2ccccc2)C1=O.
What is the InChIKey of 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is DMCGVMZJQZEXRZ-CVRKYSSXSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-15(2)13(20)19(14(21)18-15)17-10-12(16)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)/b12-9-,17-10+.
What are the key properties of 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 350.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18291300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).