4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one

C17H24N2O2S — CID 175502448

IUPAC4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1ccc(OCCCSCc2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)13-5-7-15(8-6-13)21-9-4-10-22-12-14-11-18-16(20)19-14/h5-8,11H,4,9-10,12H2,1-3H3,(H2,18,19,20)
InChIKeyPIEDYYDUWMSLSJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.70
Rot. Bonds7

About 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one

4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one (PubChem CID 175502448) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one
PubChem CID175502448
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1ccc(OCCCSCc2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)13-5-7-15(8-6-13)21-9-4-10-22-12-14-11-18-16(20)19-14/h5-8,11H,4,9-10,12H2,1-3H3,(H2,18,19,20)
InChIKeyPIEDYYDUWMSLSJ-UHFFFAOYSA-N
XLogP3.70
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one 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

4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazole-2-thione
CID 175502262
1-tert-butyl-4-pent-4-ynoxybenzene
CID 19983623
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136686722
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
4-(4-tert-butylphenoxy)butanamide
CID 82041345
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136685035
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 135416153
4-[3-(4-tert-butylphenoxy)propyl]piperazin-4-ium-2-one
CID 8548424
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one (CID 175502448) is 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one is CC(C)(C)c1ccc(OCCCSCc2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is PIEDYYDUWMSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-17(2,3)13-5-7-15(8-6-13)21-9-4-10-22-12-14-11-18-16(20)19-14/h5-8,11H,4,9-10,12H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 320.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).