N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide

C12H10ClN3O2 — CID 137067085

IUPACN-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)14-12-15-10(11(18)16-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3,(H2,14,15,16,17,18)/b10-6+
InChIKeyRHOGYFMNWBSRNO-UXBLZVDNSA-N
MW263.68 g/mol
LogP1.30
Rot. Bonds1

About N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide

N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide (PubChem CID 137067085) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
PubChem CID137067085
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)14-12-15-10(11(18)16-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3,(H2,14,15,16,17,18)/b10-6+
InChIKeyRHOGYFMNWBSRNO-UXBLZVDNSA-N
XLogP1.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide 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

2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide
CID 136739960
(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
CID 135611096
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-4-benzylidene-2-[(4-chlorophenyl)methyl]-1H-imidazol-5-one
CID 136893375
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 135489854
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
CID 135505119
N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 2376203
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide (CID 137067085) is N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide is CC(=O)NC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide?
The InChIKey is RHOGYFMNWBSRNO-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7(17)14-12-15-10(11(18)16-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3,(H2,14,15,16,17,18)/b10-6+.
What are the key properties of N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide?
N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 137067085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).