1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea

C15H20N4OS — CID 2969796

IUPAC1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCCOc1ccc(NC(=S)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N4OS/c1-2-20-14-6-4-13(5-7-14)18-15(21)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,17,18,21)
InChIKeyNWNREZFTOBJNEO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.66
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea

1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (PubChem CID 2969796) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
PubChem CID2969796
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCCOc1ccc(NC(=S)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N4OS/c1-2-20-14-6-4-13(5-7-14)18-15(21)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,17,18,21)
InChIKeyNWNREZFTOBJNEO-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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Related Compounds

1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
Methanesulfonamide, N-(4-(2-hydroxy-3-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-
CID 3079339
Ersentilide
CID 208932
1-(3-Imidazol-1-ylpropyl)-3-(4-methoxyphenyl)thiourea
CID 2917732
1-(3,5-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539192
1-(2,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539193
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
1-(3-(1H-Imidazol-1-yl)propyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 6539195
1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CID 6539196
1-(3,4-dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)butyl]thiourea
CID 6539198
1-((R)-3-(1H-imidazol-1-yl)-2-methylpropyl)-3-(3,4-dimethoxyphenyl)thiourea
CID 6539199
1-((S)-3-(1H-imidazol-1-yl)-2-methylpropyl)-3-(3,4-dimethoxyphenyl)thiourea
CID 6539200

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (CID 2969796) is 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is CCOc1ccc(NC(=S)NCCCn2ccnc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The InChIKey is NWNREZFTOBJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-20-14-6-4-13(5-7-14)18-15(21)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
1-(4-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-(4-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is sourced from PubChem (CID 2969796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).