3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol

C18H20N2S — CID 88809671

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol
SMILESSC(CC1=NCCN1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2S/c21-16(13-17-19-11-12-20-17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)
InChIKeyIHPZYQKQTIAPDW-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.51
Rot. Bonds5

About 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol

3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol (PubChem CID 88809671) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol
PubChem CID88809671
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol
SMILESSC(CC1=NCCN1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2S/c21-16(13-17-19-11-12-20-17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)
InChIKeyIHPZYQKQTIAPDW-UHFFFAOYSA-N
XLogP3.51
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol (CID 88809671) is 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol is SC(CC1=NCCN1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol?
The InChIKey is IHPZYQKQTIAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c21-16(13-17-19-11-12-20-17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol?
3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol has a molecular weight of 296.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol is sourced from PubChem (CID 88809671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).