4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione

C19H20N2O2S — CID 23464758

IUPAC4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C19H20N2O2S/c1-11-9-13(5-7-15(11)22-3)17-18(21-19(24)20-17)14-6-8-16(23-4)12(2)10-14/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyCRWKRFYYSGQYRO-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.04
Rot. Bonds4

About 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione

4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 23464758) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
PubChem CID23464758
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C19H20N2O2S/c1-11-9-13(5-7-15(11)22-3)17-18(21-19(24)20-17)14-6-8-16(23-4)12(2)10-14/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyCRWKRFYYSGQYRO-UHFFFAOYSA-N
XLogP5.04
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole
CID 83740823
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 135397515
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione (CID 23464758) is 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione is COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(OC)c(C)c2)cc1C.
What is the InChIKey of 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is CRWKRFYYSGQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-11-9-13(5-7-15(11)22-3)17-18(21-19(24)20-17)14-6-8-16(23-4)12(2)10-14/h5-10H,1-4H3,(H2,20,21,24).
What are the key properties of 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione?
4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 340.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 23464758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).