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

C19H20N4O2S — CID 9283101

IUPAC1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
SMILESCCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H20N4O2S/c1-2-13-20-17(26)22-23-16(24)19(21-18(23)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,25)(H2,20,22,26)
InChIKeyCLVFWELKPGHMKK-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.27
Rot. Bonds5

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

1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea (PubChem CID 9283101) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
PubChem CID9283101
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
SMILESCCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H20N4O2S/c1-2-13-20-17(26)22-23-16(24)19(21-18(23)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,25)(H2,20,22,26)
InChIKeyCLVFWELKPGHMKK-UHFFFAOYSA-N
XLogP2.27
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea
CID 9283078
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8788971
1-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8789062
dimethyl-[3-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]carbamothioylamino]propyl]azanium
CID 2621344
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9283118
1-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8766612
2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
CID 166210692
1-butyl-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789019
1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
CID 8679353
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
1-benzyl-3-propylthiourea
CID 12725927
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-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea?
The IUPAC name of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea (CID 9283101) is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea.
What is the SMILES notation for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea?
The canonical SMILES for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea is CCCNC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea?
The InChIKey is CLVFWELKPGHMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-13-20-17(26)22-23-16(24)19(21-18(23)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,25)(H2,20,22,26).
What are the key properties of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea?
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea has a molecular weight of 368.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea is sourced from PubChem (CID 9283101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).