4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione

C10H10N2OS — CID 25124592

IUPAC4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C10H10N2OS/c1-13-8-4-2-3-7(5-8)9-6-11-10(14)12-9/h2-6H,1H3,(H2,11,12,14)
InChIKeyNAHCKRAVJDCJKM-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.75
Rot. Bonds2

About 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione

4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 25124592) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione
PubChem CID25124592
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C10H10N2OS/c1-13-8-4-2-3-7(5-8)9-6-11-10(14)12-9/h2-6H,1H3,(H2,11,12,14)
InChIKeyNAHCKRAVJDCJKM-UHFFFAOYSA-N
XLogP2.75
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
CID 25124599
5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione
CID 18439774
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
methyl 5-(3-methoxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225207
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione (CID 25124592) is 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione is COc1cccc(-c2c[nH]c(=S)[nH]2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is NAHCKRAVJDCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-13-8-4-2-3-7(5-8)9-6-11-10(14)12-9/h2-6H,1H3,(H2,11,12,14).
What are the key properties of 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione?
4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25124592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).