2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H29N5O3S — CID 55530981

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCCCn1c(SCC(=O)NN2C(=O)NC(CC)(c3ccccc3)C2=O)nc(C)c1C
InChIInChI=1S/C22H29N5O3S/c1-5-7-13-26-16(4)15(3)23-21(26)31-14-18(28)25-27-19(29)22(6-2,24-20(27)30)17-11-9-8-10-12-17/h8-12H,5-7,13-14H2,1-4H3,(H,24,30)(H,25,28)
InChIKeyLWNWVGROAWMQRY-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.28
Rot. Bonds9

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55530981) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55530981
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCCCn1c(SCC(=O)NN2C(=O)NC(CC)(c3ccccc3)C2=O)nc(C)c1C
InChIInChI=1S/C22H29N5O3S/c1-5-7-13-26-16(4)15(3)23-21(26)31-14-18(28)25-27-19(29)22(6-2,24-20(27)30)17-11-9-8-10-12-17/h8-12H,5-7,13-14H2,1-4H3,(H,24,30)(H,25,28)
InChIKeyLWNWVGROAWMQRY-UHFFFAOYSA-N
XLogP3.28
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 36836569
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 39968445
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41099363
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55425463
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55401683
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 22831107
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 9294546
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 24549169
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9294111
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55530981) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCCCn1c(SCC(=O)NN2C(=O)NC(CC)(c3ccccc3)C2=O)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is LWNWVGROAWMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-5-7-13-26-16(4)15(3)23-21(26)31-14-18(28)25-27-19(29)22(6-2,24-20(27)30)17-11-9-8-10-12-17/h8-12H,5-7,13-14H2,1-4H3,(H,24,30)(H,25,28).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 443.57 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55530981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).