1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea

C22H22N2S — CID 5074754

IUPAC1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2S/c1-17-10-8-9-15-20(17)23-22(25)24-21(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25)
InChIKeyVXMNLNPMEWKCMJ-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.27
Rot. Bonds5

About 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea

1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea (PubChem CID 5074754) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea
PubChem CID5074754
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2S/c1-17-10-8-9-15-20(17)23-22(25)24-21(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25)
InChIKeyVXMNLNPMEWKCMJ-UHFFFAOYSA-N
XLogP5.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.27
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

N-(2-Methylphenyl)thiourea
CID 2787703
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(alpha-naphthyl)-4,4,6-trimethyl-
CID 704287
Krm-iii
CID 736689
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871
Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
1,3-Bis(o-tolyl)thiourea
CID 688028
N,N'-Di-1-naphthalenylthiourea
CID 3034003
N,N'-Bis(4-methylphenyl)thiourea
CID 688021
1-(4-Aminophenyl)-4-phenyl-1H-imidazole-2-thiol
CID 853539
1-Benzyl-3-phenyl-2-thiourea
CID 668300

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea (CID 5074754) is 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea?
The InChIKey is VXMNLNPMEWKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-17-10-8-9-15-20(17)23-22(25)24-21(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25).
What are the key properties of 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea?
1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea has a molecular weight of 346.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 5074754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).