1-phenylimidazolidine;thiourea

C10H16N4S — CID 88707385

IUPAC1-phenylimidazolidine;thiourea
SMILESNC(N)=S.c1ccc(N2CCNC2)cc1
InChIInChI=1S/C9H12N2.CH4N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;2-1(3)4/h1-5,10H,6-8H2;(H4,2,3,4)
InChIKeyTUBPYWQZSVKTSZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.24
Rot. Bonds1

About 1-phenylimidazolidine;thiourea

1-phenylimidazolidine;thiourea (PubChem CID 88707385) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-phenylimidazolidine;thiourea.

Molecular Properties

Compound Name1-phenylimidazolidine;thiourea
PubChem CID88707385
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-phenylimidazolidine;thiourea
SMILESNC(N)=S.c1ccc(N2CCNC2)cc1
InChIInChI=1S/C9H12N2.CH4N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;2-1(3)4/h1-5,10H,6-8H2;(H4,2,3,4)
InChIKeyTUBPYWQZSVKTSZ-UHFFFAOYSA-N
XLogP0.24
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylthiourea;1-phenylimidazolidine
CID 88712214
aniline;1-phenylpiperazine
CID 175572624
ethane;molecular hydrogen;1-phenylpiperazine
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2-imidazolidin-1-ylphenol
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magnesium;1-phenylpiperazine;propane;hydrobromide
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1-thiophen-2-ylimidazolidine
CID 66739278
propyl 4-imidazolidin-1-ylbenzoate
CID 141172883
1-(4-phenoxyphenyl)piperazine
CID 3017356
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
1-(4-benzylphenyl)piperazine
CID 4738749
carbamic acid;1-phenylpiperidine
CID 161473217
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157

Frequently Asked Questions

What is the IUPAC name of 1-phenylimidazolidine;thiourea?
The IUPAC name of 1-phenylimidazolidine;thiourea (CID 88707385) is 1-phenylimidazolidine;thiourea.
What is the SMILES notation for 1-phenylimidazolidine;thiourea?
The canonical SMILES for 1-phenylimidazolidine;thiourea is NC(N)=S.c1ccc(N2CCNC2)cc1.
What is the InChIKey of 1-phenylimidazolidine;thiourea?
The InChIKey is TUBPYWQZSVKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.CH4N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;2-1(3)4/h1-5,10H,6-8H2;(H4,2,3,4).
What are the key properties of 1-phenylimidazolidine;thiourea?
1-phenylimidazolidine;thiourea has a molecular weight of 224.33 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylimidazolidine;thiourea is sourced from PubChem (CID 88707385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).