N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide

C24H20Cl2N4O3 — CID 126219073

IUPACN-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
SMILESCc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C24H20Cl2N4O3/c1-14-10-18(15(2)30(14)28-22(31)16-6-4-3-5-7-16)11-21-23(32)29(24(33)27-21)13-17-8-9-19(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,33)(H,28,31)/b21-11-
InChIKeyRFHYUKGCFIITEC-NHDPSOOVSA-N
MW483.36 g/mol
LogP4.89
Rot. Bonds5

About N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide

N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide (PubChem CID 126219073) has the molecular formula C24H20Cl2N4O3 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
PubChem CID126219073
Molecular FormulaC24H20Cl2N4O3
Molecular Weight483.36 g/mol
Exact Mass482.09
IUPAC NameN-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
SMILESCc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C24H20Cl2N4O3/c1-14-10-18(15(2)30(14)28-22(31)16-6-4-3-5-7-16)11-21-23(32)29(24(33)27-21)13-17-8-9-19(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,33)(H,28,31)/b21-11-
InChIKeyRFHYUKGCFIITEC-NHDPSOOVSA-N
XLogP4.89
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_F(8)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-dimethyl-3-[(Z)-[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzamide
CID 126217998
N-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126217960
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 126114390
(5Z)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126076286
(5Z)-3-benzyl-5-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 25250588
2-[(4E)-4-[[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126215713
(5E)-5-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126104375
N-[2,5-dimethyl-3-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzamide
CID 126219790
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865627
5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4538362
(5E)-3-benzyl-5-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126242847
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126110932

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide?
The IUPAC name of N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide (CID 126219073) is N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide.
What is the SMILES notation for N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide?
The canonical SMILES for N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide is Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide?
The InChIKey is RFHYUKGCFIITEC-NHDPSOOVSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3/c1-14-10-18(15(2)30(14)28-22(31)16-6-4-3-5-7-16)11-21-23(32)29(24(33)27-21)13-17-8-9-19(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,33)(H,28,31)/b21-11-.
What are the key properties of N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide?
N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide is sourced from PubChem (CID 126219073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).