1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea

C22H22N2S — CID 2349997

IUPAC1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H22N2S/c25-22(23-16-15-18-9-3-1-4-10-18)24-21-14-8-7-13-20(21)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H2,23,24,25)
InChIKeyKWQLIHLCMQCNHG-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.81
Rot. Bonds6

About 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea

1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea (PubChem CID 2349997) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
PubChem CID2349997
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H22N2S/c25-22(23-16-15-18-9-3-1-4-10-18)24-21-14-8-7-13-20(21)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H2,23,24,25)
InChIKeyKWQLIHLCMQCNHG-UHFFFAOYSA-N
XLogP4.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-benzylphenyl)-3-(2-phenylethyl)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-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
CID 7939289
1-(2-phenylethyl)-3-[2-(2-sulfanylphenyl)ethyl]thiourea
CID 140842952
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
CID 4848241
1-(2-benzylphenyl)-3-(3-chloro-4-methylphenyl)thiourea
CID 2111214
1-(3-hydroxypropyl)-3-(2-phenylethyl)thiourea
CID 2171228
N-[2,5-dimethoxy-4-(2-phenylethylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 1428025
N-(2-benzylphenyl)hydroxylamine
CID 3014197
N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2344017

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea (CID 2349997) is 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is KWQLIHLCMQCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c25-22(23-16-15-18-9-3-1-4-10-18)24-21-14-8-7-13-20(21)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H2,23,24,25).
What are the key properties of 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea?
1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 346.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2349997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).