1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

C23H26N4O2S — CID 9283118

IUPAC1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
SMILESC[C@H]1CCCC[C@@H]1NC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H26N4O2S/c1-16-10-8-9-15-19(16)24-21(30)26-27-20(28)23(25-22(27)29,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3,(H,25,29)(H2,24,26,30)/t16-,19-/m0/s1
InChIKeyJMZMTDSOSRCBAV-LPHOPBHVSA-N
MW422.55 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea (PubChem CID 9283118) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
PubChem CID9283118
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
SMILESC[C@H]1CCCC[C@@H]1NC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H26N4O2S/c1-16-10-8-9-15-19(16)24-21(30)26-27-20(28)23(25-22(27)29,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3,(H,25,29)(H2,24,26,30)/t16-,19-/m0/s1
InChIKeyJMZMTDSOSRCBAV-LPHOPBHVSA-N
XLogP3.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.44
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-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8789006
1-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8766829
1-[(1S,2S)-2-methylcyclohexyl]-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789071
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
CID 9283101
1-butyl-3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)thiourea
CID 9283078
1-benzyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 7924746
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 41088709
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
CID 110490785
2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
CID 166210692
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8655486

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea (CID 9283118) is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea is C[C@H]1CCCC[C@@H]1NC(=S)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea?
The InChIKey is JMZMTDSOSRCBAV-LPHOPBHVSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-10-8-9-15-19(16)24-21(30)26-27-20(28)23(25-22(27)29,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3,(H,25,29)(H2,24,26,30)/t16-,19-/m0/s1.
What are the key properties of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea?
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea has a molecular weight of 422.55 g/mol, XLogP of 3.44, 4 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-[(1S,2S)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 9283118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).