2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C24H22ClN5O3S — CID 4869709

IUPAC2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESC=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C24H22ClN5O3S/c1-3-13-29-19(16-9-11-18(25)12-10-16)14-26-23(29)34-15-20(31)28-30-21(32)24(2,27-22(30)33)17-7-5-4-6-8-17/h3-12,14H,1,13,15H2,2H3,(H,27,33)(H,28,31)
InChIKeyXVFBCAKROJRROB-UHFFFAOYSA-N
MW495.99 g/mol
LogP3.98
Rot. Bonds8

About 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 4869709) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID4869709
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC Name2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESC=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C24H22ClN5O3S/c1-3-13-29-19(16-9-11-18(25)12-10-16)14-26-23(29)34-15-20(31)28-30-21(32)24(2,27-22(30)33)17-7-5-4-6-8-17/h3-12,14H,1,13,15H2,2H3,(H,27,33)(H,28,31)
InChIKeyXVFBCAKROJRROB-UHFFFAOYSA-N
XLogP3.98
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4780641
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41215194
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41215189
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46692840
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46607337
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4966872
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 30165230
2-(2-chlorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55342591

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 4869709) is 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is XVFBCAKROJRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-3-13-29-19(16-9-11-18(25)12-10-16)14-26-23(29)34-15-20(31)28-30-21(32)24(2,27-22(30)33)17-7-5-4-6-8-17/h3-12,14H,1,13,15H2,2H3,(H,27,33)(H,28,31).
What are the key properties of 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 495.99 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4869709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).