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

C15H20N4OS — CID 4032222

IUPAC1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCCOc1ccccc1NC(=S)NCCCn1ccnc1
InChIInChI=1S/C15H20N4OS/c1-2-20-14-7-4-3-6-13(14)18-15(21)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,17,18,21)
InChIKeyMGNWZPAIBLPCGQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.66
Rot. Bonds7

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

1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (PubChem CID 4032222) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
PubChem CID4032222
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCCOc1ccccc1NC(=S)NCCCn1ccnc1
InChIInChI=1S/C15H20N4OS/c1-2-20-14-7-4-3-6-13(14)18-15(21)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,17,18,21)
InChIKeyMGNWZPAIBLPCGQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (CID 4032222) is 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is CCOc1ccccc1NC(=S)NCCCn1ccnc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The InChIKey is MGNWZPAIBLPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-20-14-7-4-3-6-13(14)18-15(21)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea has a molecular weight of 304.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is sourced from PubChem (CID 4032222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).