1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione

C19H18N2OS — CID 90971785

IUPAC1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione
SMILESC=CCn1c(O)cn(-c2ccc(Cc3ccccc3)cc2)c1=S
InChIInChI=1S/C19H18N2OS/c1-2-12-20-18(22)14-21(19(20)23)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h2-11,14,22H,1,12-13H2
InChIKeyALRDKBDROSPOHP-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.49
Rot. Bonds5

About 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione

1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione (PubChem CID 90971785) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione.

Molecular Properties

Compound Name1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione
PubChem CID90971785
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione
SMILESC=CCn1c(O)cn(-c2ccc(Cc3ccccc3)cc2)c1=S
InChIInChI=1S/C19H18N2OS/c1-2-12-20-18(22)14-21(19(20)23)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h2-11,14,22H,1,12-13H2
InChIKeyALRDKBDROSPOHP-UHFFFAOYSA-N
XLogP4.49
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 10337100
CID 131886054
CID 131886054
5-benzyl-1-prop-2-enylpyrrole-2-carbonitrile
CID 100793307
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
1,4-bis(4-benzylphenyl)benzene
CID 58251041
phenyl(113C)methylbenzene
CID 11194569
5-benzyl-6-hydroxy-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one
CID 135402168
3-(2-phenylethyl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione
CID 170921860
1-(4-benzylphenyl)-3-prop-2-enylthiourea
CID 78357849
methyl 5-benzyl-1-prop-2-enylpyrrole-2-carboxylate
CID 100793310
3-benzyl-1,2-bis(prop-2-enyl)indole
CID 162407224
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione?
The IUPAC name of 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione (CID 90971785) is 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione.
What is the SMILES notation for 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione?
The canonical SMILES for 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione is C=CCn1c(O)cn(-c2ccc(Cc3ccccc3)cc2)c1=S.
What is the InChIKey of 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione?
The InChIKey is ALRDKBDROSPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-12-20-18(22)14-21(19(20)23)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h2-11,14,22H,1,12-13H2.
What are the key properties of 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione?
1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione has a molecular weight of 322.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-4-hydroxy-3-prop-2-enylimidazole-2-thione is sourced from PubChem (CID 90971785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).