1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea

C15H20N4O3S — CID 8788971

IUPAC1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
SMILESCCCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1
InChIKeyCOGUBXKMUWSMHF-OAHLLOKOSA-N
MW336.42 g/mol
LogP1.25
Rot. Bonds5

About 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea

1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea (PubChem CID 8788971) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
PubChem CID8788971
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
SMILESCCCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1
InChIKeyCOGUBXKMUWSMHF-OAHLLOKOSA-N
XLogP1.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-prop-2-enylthiourea
CID 8788892
1-(3,4-dimethylphenyl)-3-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8683821
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 41013708
1-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8788983
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8789006
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-propylthiourea
CID 9283101
1-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8789062
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
dimethyl-[3-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]carbamothioylamino]propyl]azanium
CID 2621344
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
1-butyl-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789019

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea?
The IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea (CID 8788971) is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea.
What is the SMILES notation for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea?
The canonical SMILES for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea is CCCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O.
What is the InChIKey of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea?
The InChIKey is COGUBXKMUWSMHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea?
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea has a molecular weight of 336.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea is sourced from PubChem (CID 8788971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).