(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one

C16H13BrN2O2 — CID 136894687

IUPAC(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
SMILESO=C1NC(CCc2ccco2)=N/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c17-12-5-3-11(4-6-12)10-14-16(20)19-15(18-14)8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,19,20)/b14-10+
InChIKeyUYMFSYRJMDDZHN-GXDHUFHOSA-N
MW345.20 g/mol
LogP3.54
Rot. Bonds4

About (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one

(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one (PubChem CID 136894687) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
PubChem CID136894687
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
SMILESO=C1NC(CCc2ccco2)=N/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c17-12-5-3-11(4-6-12)10-14-16(20)19-15(18-14)8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,19,20)/b14-10+
InChIKeyUYMFSYRJMDDZHN-GXDHUFHOSA-N
XLogP3.54
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893541
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136894117
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895118
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(3-chlorophenyl)ethyl]-1H-imidazol-5-one
CID 136894695
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895492
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-4-benzylidene-2-[2-(2-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136893383
(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894654
(4E)-4-[(4-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 20831515
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936557
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936523
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one (CID 136894687) is (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one is O=C1NC(CCc2ccco2)=N/C1=C/c1ccc(Br)cc1.
What is the InChIKey of (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one?
The InChIKey is UYMFSYRJMDDZHN-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-5-3-11(4-6-12)10-14-16(20)19-15(18-14)8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,19,20)/b14-10+.
What are the key properties of (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one?
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one has a molecular weight of 345.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one is sourced from PubChem (CID 136894687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).