1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea

C15H20N4S — CID 4506024

IUPAC1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCc1cc(C)cc(NC(=S)NCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4S/c1-12-8-13(2)10-14(9-12)18-15(20)17-4-3-6-19-7-5-16-11-19/h5,7-11H,3-4,6H2,1-2H3,(H2,17,18,20)
InChIKeyBYJZAAOMADSLOV-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.88
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea

1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (PubChem CID 4506024) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
PubChem CID4506024
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILESCc1cc(C)cc(NC(=S)NCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4S/c1-12-8-13(2)10-14(9-12)18-15(20)17-4-3-6-19-7-5-16-11-19/h5,7-11H,3-4,6H2,1-2H3,(H2,17,18,20)
InChIKeyBYJZAAOMADSLOV-UHFFFAOYSA-N
XLogP2.88
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.88
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'}

Analyze 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 100664909
1-(3-imidazol-1-ylpropyl)-3-(4-methylsulfanylphenyl)thiourea
CID 6539187
1-(4-bromo-3-chlorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 100664878
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 100665297
methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100664991
ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100665007
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
1-(3,5-dimethylphenyl)-3-(3-hydroxypropyl)thiourea
CID 2171398
1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea;ethane;4-isothiocyanato-1,2-dimethoxybenzene
CID 145463609

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea (CID 4506024) is 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is Cc1cc(C)cc(NC(=S)NCCCn2ccnc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
The InChIKey is BYJZAAOMADSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-8-13(2)10-14(9-12)18-15(20)17-4-3-6-19-7-5-16-11-19/h5,7-11H,3-4,6H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea?
1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea is sourced from PubChem (CID 4506024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).