1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea

C24H21N5O3S — CID 71574499

IUPAC1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C24H21N5O3S/c30-20(27-28-22(33)25-19-14-8-3-9-15-19)16-29-21(31)24(26-23(29)32,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,32)(H,27,30)(H2,25,28,33)
InChIKeyWBWWJCHEQVOBMB-UHFFFAOYSA-N
MW459.53 g/mol
LogP2.50
Rot. Bonds5

About 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea

1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea (PubChem CID 71574499) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea
PubChem CID71574499
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C24H21N5O3S/c30-20(27-28-22(33)25-19-14-8-3-9-15-19)16-29-21(31)24(26-23(29)32,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,32)(H,27,30)(H2,25,28,33)
InChIKeyWBWWJCHEQVOBMB-UHFFFAOYSA-N
XLogP2.50
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea (CID 71574499) is 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea?
The InChIKey is WBWWJCHEQVOBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-20(27-28-22(33)25-19-14-8-3-9-15-19)16-29-21(31)24(26-23(29)32,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,32)(H,27,30)(H2,25,28,33).
What are the key properties of 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea?
1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea has a molecular weight of 459.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-3-phenylthiourea is sourced from PubChem (CID 71574499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).