1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea

C20H22N4O2S — CID 9283078

IUPAC1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea
SMILESCCCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H22N4O2S/c1-2-3-14-21-18(27)23-24-17(25)20(22-19(24)26,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,26)(H2,21,23,27)
InChIKeyGEECERWPOUYPTK-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.66
Rot. Bonds6

About 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea

1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea (PubChem CID 9283078) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea.

Molecular Properties

Compound Name1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea
PubChem CID9283078
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea
SMILESCCCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H22N4O2S/c1-2-3-14-21-18(27)23-24-17(25)20(22-19(24)26,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,26)(H2,21,23,27)
InChIKeyGEECERWPOUYPTK-UHFFFAOYSA-N
XLogP2.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
CID 9283101
dimethyl-[3-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]carbamothioylamino]propyl]azanium
CID 2621344
1-butyl-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789019
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8788971
1-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8766612
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9283118
1-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8789062
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
CID 166210692
1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
CID 8679353
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 25363672

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea?
The IUPAC name of 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea (CID 9283078) is 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea.
What is the SMILES notation for 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea?
The canonical SMILES for 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea is CCCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea?
The InChIKey is GEECERWPOUYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-3-14-21-18(27)23-24-17(25)20(22-19(24)26,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,26)(H2,21,23,27).
What are the key properties of 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea?
1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea has a molecular weight of 382.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea is sourced from PubChem (CID 9283078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).