1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione

C20H24N2OS — CID 24797907

IUPAC1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
SMILESCCCCN1CCN(c2cccc(OCc3ccccc3)c2)C1=S
InChIInChI=1S/C20H24N2OS/c1-2-3-12-21-13-14-22(20(21)24)18-10-7-11-19(15-18)23-16-17-8-5-4-6-9-17/h4-11,15H,2-3,12-14,16H2,1H3
InChIKeyPKJWVSLPPXPIHV-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.47
Rot. Bonds7

About 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione

1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione (PubChem CID 24797907) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
PubChem CID24797907
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
SMILESCCCCN1CCN(c2cccc(OCc3ccccc3)c2)C1=S
InChIInChI=1S/C20H24N2OS/c1-2-3-12-21-13-14-22(20(21)24)18-10-7-11-19(15-18)23-16-17-8-5-4-6-9-17/h4-11,15H,2-3,12-14,16H2,1H3
InChIKeyPKJWVSLPPXPIHV-UHFFFAOYSA-N
XLogP4.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol
CID 70977692
phenoxymethylbenzene;tetradecane
CID 175006528
1-phenylmethoxy-3-propylbenzene
CID 58977798
2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one
CID 123159516
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione?
The IUPAC name of 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione (CID 24797907) is 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione.
What is the SMILES notation for 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione?
The canonical SMILES for 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione is CCCCN1CCN(c2cccc(OCc3ccccc3)c2)C1=S.
What is the InChIKey of 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione?
The InChIKey is PKJWVSLPPXPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-2-3-12-21-13-14-22(20(21)24)18-10-7-11-19(15-18)23-16-17-8-5-4-6-9-17/h4-11,15H,2-3,12-14,16H2,1H3.
What are the key properties of 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione?
1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione has a molecular weight of 340.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione is sourced from PubChem (CID 24797907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).