2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

C25H23ClN4O3 — CID 126240800

IUPAC2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O
InChIInChI=1S/C25H23ClN4O3/c1-3-17-7-4-5-9-21(17)27-23(31)15-30-24(32)22(28-25(30)33)14-18-8-6-12-29(18)19-11-10-16(2)20(26)13-19/h4-14H,3,15H2,1-2H3,(H,27,31)(H,28,33)/b22-14+
InChIKeyLXZLIOBDOOYOSS-HYARGMPZSA-N
MW462.94 g/mol
LogP4.53
Rot. Bonds6

About 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 126240800) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID126240800
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O
InChIInChI=1S/C25H23ClN4O3/c1-3-17-7-4-5-9-21(17)27-23(31)15-30-24(32)22(28-25(30)33)14-18-8-6-12-29(18)19-11-10-16(2)20(26)13-19/h4-14H,3,15H2,1-2H3,(H,27,31)(H,28,33)/b22-14+
InChIKeyLXZLIOBDOOYOSS-HYARGMPZSA-N
XLogP4.53
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5Z)-5-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126020889
N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126244413
3-[2-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 21233830
2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126258315
ethyl 2-[2,6-dichloro-4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126254653
4-[2-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 6525850
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50855835
N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126249487
2-[(4E)-4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126249635
2-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126227604
2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46499443
2-[(4E)-4-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126238833

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (CID 126240800) is 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O.
What is the InChIKey of 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is LXZLIOBDOOYOSS-HYARGMPZSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-3-17-7-4-5-9-21(17)27-23(31)15-30-24(32)22(28-25(30)33)14-18-8-6-12-29(18)19-11-10-16(2)20(26)13-19/h4-14H,3,15H2,1-2H3,(H,27,31)(H,28,33)/b22-14+.
What are the key properties of 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 462.94 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).