2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide

C14H13ClN4O3 — CID 136739960

IUPAC2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide
SMILESCC(=O)N(CC(N)=O)C1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C14H13ClN4O3/c1-8(20)19(7-12(16)21)14-17-11(13(22)18-14)6-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H2,16,21)(H,17,18,22)/b11-6-
InChIKeyDMJOBPCBKQUQCN-WDZFZDKYSA-N
MW320.74 g/mol
LogP0.50
Rot. Bonds3

About 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide

2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide (PubChem CID 136739960) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide
PubChem CID136739960
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide
SMILESCC(=O)N(CC(N)=O)C1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C14H13ClN4O3/c1-8(20)19(7-12(16)21)14-17-11(13(22)18-14)6-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H2,16,21)(H,17,18,22)/b11-6-
InChIKeyDMJOBPCBKQUQCN-WDZFZDKYSA-N
XLogP0.50
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
CID 137067085
(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
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894330
ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135516968
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid
CID 6435390
(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
CID 135611096
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
ethyl 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoate
CID 5298471
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(4-ethylphenyl)methylidene]-1H-imidazol-5-one
CID 136893706

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide?
The IUPAC name of 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide (CID 136739960) is 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide.
What is the SMILES notation for 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide?
The canonical SMILES for 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide is CC(=O)N(CC(N)=O)C1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide?
The InChIKey is DMJOBPCBKQUQCN-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-8(20)19(7-12(16)21)14-17-11(13(22)18-14)6-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H2,16,21)(H,17,18,22)/b11-6-.
What are the key properties of 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide?
2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide has a molecular weight of 320.74 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]amino]acetamide is sourced from PubChem (CID 136739960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).