N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide

C23H17BrN4O2 — CID 135521679

IUPACN-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide
SMILESO=C1N/C(=N\NC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C23H17BrN4O2/c24-18-13-11-17(12-14-18)21(29)26-27-23-25-22(30)20(15-16-7-3-1-4-8-16)28(23)19-9-5-2-6-10-19/h1-15H,(H,26,29)(H,25,27,30)/b20-15+
InChIKeyPLFVVEKDRSAZDZ-HMMYKYKNSA-N
MW461.32 g/mol
LogP4.13
Rot. Bonds4

About N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide

N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide (PubChem CID 135521679) has the molecular formula C23H17BrN4O2 and a molecular weight of 461.32 g/mol. Its IUPAC name is N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide
PubChem CID135521679
Molecular FormulaC23H17BrN4O2
Molecular Weight461.32 g/mol
Exact Mass460.05
IUPAC NameN-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide
SMILESO=C1N/C(=N\NC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C23H17BrN4O2/c24-18-13-11-17(12-14-18)21(29)26-27-23-25-22(30)20(15-16-7-3-1-4-8-16)28(23)19-9-5-2-6-10-19/h1-15H,(H,26,29)(H,25,27,30)/b20-15+
InChIKeyPLFVVEKDRSAZDZ-HMMYKYKNSA-N
XLogP4.13
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 1375968
(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
CID 1098704
3-benzylidene-2-(4-bromophenyl)isoindol-1-one
CID 3962794
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one
CID 136665060
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046
2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
CID 71833055
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
1-(4-bromophenyl)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6750746
4-bromo-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 6871391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide?
The IUPAC name of N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide (CID 135521679) is N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide.
What is the SMILES notation for N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide?
The canonical SMILES for N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide is O=C1N/C(=N\NC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C/c1ccccc1.
What is the InChIKey of N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide?
The InChIKey is PLFVVEKDRSAZDZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H17BrN4O2/c24-18-13-11-17(12-14-18)21(29)26-27-23-25-22(30)20(15-16-7-3-1-4-8-16)28(23)19-9-5-2-6-10-19/h1-15H,(H,26,29)(H,25,27,30)/b20-15+.
What are the key properties of N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide?
N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide has a molecular weight of 461.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide is sourced from PubChem (CID 135521679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).