(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione

C16H15ClN2S — CID 87581526

IUPAC(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione
SMILESC[C@]1(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2S/c1-16(12-5-3-2-4-6-12)14(18-15(20)19-16)11-7-9-13(17)10-8-11/h2-10,14H,1H3,(H2,18,19,20)/t14-,16+/m0/s1
InChIKeyWGQNDULYGXTANX-GOEBONIOSA-N
MW302.83 g/mol
LogP3.77
Rot. Bonds2

About (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione

(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione (PubChem CID 87581526) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione
PubChem CID87581526
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione
SMILESC[C@]1(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2S/c1-16(12-5-3-2-4-6-12)14(18-15(20)19-16)11-7-9-13(17)10-8-11/h2-10,14H,1H3,(H2,18,19,20)/t14-,16+/m0/s1
InChIKeyWGQNDULYGXTANX-GOEBONIOSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.77
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-benzyl-5-(4-chlorophenyl)-1H-imidazole-2-thiol
CID 4868391
1-[2-(4-Chlorophenyl)ethyl]-3-cyclohexylthiourea
CID 7943416
N-(2-chlorobenzyl)-N'-(2-phenylethyl)thiourea
CID 800273
5-Methyl-5-phenyl-4,5-dihydro-1H-imidazole-2-thiol
CID 3032605
1-[(4-Chlorophenyl)methyl]-3-propylthiourea
CID 2122189
1-Benzyl-3-(4-chlorobenzyl)thiourea
CID 5151480
1-Benzyl-3-[2-(4-chlorophenyl)ethyl]thiourea
CID 7943415
1-(3-Chlorobenzyl)-3-(2-phenylethyl)thiourea
CID 8669045
1-(4-Chlorobenzyl)-3-methylthiourea
CID 799744
N-(1-benzyl-4-piperidinyl)-N'-(4-chlorobenzyl)thiourea
CID 2205478
{[(4-Chlorophenyl)methyl]amino}(cyclohexylamino)methane-1-thione
CID 2787292
1-(4-Chlorobenzyl)-3-ethylthiourea
CID 2917805

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione?
The IUPAC name of (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione (CID 87581526) is (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione.
What is the SMILES notation for (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione?
The canonical SMILES for (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione is C[C@]1(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione?
The InChIKey is WGQNDULYGXTANX-GOEBONIOSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-16(12-5-3-2-4-6-12)14(18-15(20)19-16)11-7-9-13(17)10-8-11/h2-10,14H,1H3,(H2,18,19,20)/t14-,16+/m0/s1.
What are the key properties of (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione?
(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione has a molecular weight of 302.83 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione is sourced from PubChem (CID 87581526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).