1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea

C15H20N4S — CID 4832222

IUPAC1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCCn1ccnc1)NCCc1ccccc1
InChIInChI=1S/C15H20N4S/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20)
InChIKeyGZAADFJRQMPMIW-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea

1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea (PubChem CID 4832222) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
PubChem CID4832222
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCCn1ccnc1)NCCc1ccccc1
InChIInChI=1S/C15H20N4S/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20)
InChIKeyGZAADFJRQMPMIW-UHFFFAOYSA-N
XLogP1.98
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135288
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-(8-phenyloctyl)imidazole
CID 102394184
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 100665297
1-(2-imidazol-1-ylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198866
1-(3,4-difluorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 100664909
1-(3-imidazol-1-ylpropyl)-3-(4-methylsulfanylphenyl)thiourea
CID 6539187
1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 4506024
1-(3-hydroxypropyl)-3-(2-phenylethyl)thiourea
CID 2171228

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea (CID 4832222) is 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea is S=C(NCCCn1ccnc1)NCCc1ccccc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea?
The InChIKey is GZAADFJRQMPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea?
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 4832222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).