1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea

C19H20N4O2S — CID 8679353

IUPAC1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
SMILESCCc1ccc(NC(=S)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-13-9-11-15(12-10-13)20-17(26)22-23-16(24)19(2,21-18(23)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,21,25)(H2,20,22,26)/t19-/m0/s1
InChIKeySAYFXNUCMIHENJ-IBGZPJMESA-N
MW368.46 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea

1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea (PubChem CID 8679353) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
PubChem CID8679353
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
SMILESCCc1ccc(NC(=S)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-13-9-11-15(12-10-13)20-17(26)22-23-16(24)19(2,21-18(23)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,21,25)(H2,20,22,26)/t19-/m0/s1
InChIKeySAYFXNUCMIHENJ-IBGZPJMESA-N
XLogP2.92
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.92
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

2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
dimethyl-[3-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]carbamothioylamino]propyl]azanium
CID 2621344
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8992473
1-(3,4-dimethylphenyl)-3-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8683821
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30730046
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 51559695
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685080
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
1-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8766612

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea (CID 8679353) is 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea is CCc1ccc(NC(=S)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The InChIKey is SAYFXNUCMIHENJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-13-9-11-15(12-10-13)20-17(26)22-23-16(24)19(2,21-18(23)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,21,25)(H2,20,22,26)/t19-/m0/s1.
What are the key properties of 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea has a molecular weight of 368.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea is sourced from PubChem (CID 8679353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).