1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea

C23H23FN2S — CID 19650233

IUPAC1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CNC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2S/c24-21-13-11-18(12-14-21)17-26-23(27)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,27)
InChIKeyGMBHZNSHOVJHEV-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.01
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea

1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea (PubChem CID 19650233) has the molecular formula C23H23FN2S and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea
PubChem CID19650233
Molecular FormulaC23H23FN2S
Molecular Weight378.52 g/mol
Exact Mass378.16
IUPAC Name1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CNC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2S/c24-21-13-11-18(12-14-21)17-26-23(27)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,27)
InChIKeyGMBHZNSHOVJHEV-UHFFFAOYSA-N
XLogP5.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(4-phenylbutyl)thiourea
CID 17283317
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
1-benzyl-3-propylthiourea
CID 12725927
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
CID 892266
1-[(4-fluorophenyl)methyl]-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea
CID 8564139
1-(3-methylbutyl)-3-[[4-(2-methylpropyl)phenyl]methyl]thiourea
CID 58663990
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]butanoate
CID 9053745
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea
CID 8562911

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea (CID 19650233) is 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea is Fc1ccc(CNC(=S)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea?
The InChIKey is GMBHZNSHOVJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2S/c24-21-13-11-18(12-14-21)17-26-23(27)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,27).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea?
1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea has a molecular weight of 378.52 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[(4-fluorophenyl)methyl]thiourea is sourced from PubChem (CID 19650233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).