1-benzyl-1,3-bis(2-phenylethyl)thiourea

C24H26N2S — CID 7941441

IUPAC1-benzyl-1,3-bis(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2S/c27-24(25-18-16-21-10-4-1-5-11-21)26(20-23-14-8-3-9-15-23)19-17-22-12-6-2-7-13-22/h1-15H,16-20H2,(H,25,27)
InChIKeyOUQGMCZDLDIDHK-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.85
Rot. Bonds8

About 1-benzyl-1,3-bis(2-phenylethyl)thiourea

1-benzyl-1,3-bis(2-phenylethyl)thiourea (PubChem CID 7941441) has the molecular formula C24H26N2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 1-benzyl-1,3-bis(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-benzyl-1,3-bis(2-phenylethyl)thiourea
PubChem CID7941441
Molecular FormulaC24H26N2S
Molecular Weight374.55 g/mol
Exact Mass374.18
IUPAC Name1-benzyl-1,3-bis(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2S/c27-24(25-18-16-21-10-4-1-5-11-21)26(20-23-14-8-3-9-15-23)19-17-22-12-6-2-7-13-22/h1-15H,16-20H2,(H,25,27)
InChIKeyOUQGMCZDLDIDHK-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18230960
1-benzyl-1-(2-methoxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18274497
1-(2,2-diethoxyethyl)-1,3-bis(2-phenylethyl)thiourea
CID 3780789
1,1,3-tris(2-phenylethyl)urea
CID 123287811
1,1-dibenzyl-3-butylthiourea
CID 3522415
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)thiourea
CID 7027975
1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
1-methyl-1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8770481
1,1-dibenzyl-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CID 4135206
1,1-dibenzyl-3-(2-phenylsulfanylethyl)thiourea
CID 9053168
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
1-benzyl-3-(2-ethoxyphenyl)-1-(2-phenylethyl)thiourea
CID 23853291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-bis(2-phenylethyl)thiourea?
The IUPAC name of 1-benzyl-1,3-bis(2-phenylethyl)thiourea (CID 7941441) is 1-benzyl-1,3-bis(2-phenylethyl)thiourea.
What is the SMILES notation for 1-benzyl-1,3-bis(2-phenylethyl)thiourea?
The canonical SMILES for 1-benzyl-1,3-bis(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3-bis(2-phenylethyl)thiourea?
The InChIKey is OUQGMCZDLDIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2S/c27-24(25-18-16-21-10-4-1-5-11-21)26(20-23-14-8-3-9-15-23)19-17-22-12-6-2-7-13-22/h1-15H,16-20H2,(H,25,27).
What are the key properties of 1-benzyl-1,3-bis(2-phenylethyl)thiourea?
1-benzyl-1,3-bis(2-phenylethyl)thiourea has a molecular weight of 374.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-bis(2-phenylethyl)thiourea is sourced from PubChem (CID 7941441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).