4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione

C16H15N3S — CID 140604946

IUPAC4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
SMILESCc1ccc(C2NC(=S)N=C2Nc2ccccc2)cc1
InChIInChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)14-15(19-16(20)18-14)17-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,17,18,19,20)
InChIKeyGTWPUUVVBAGITF-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.43
Rot. Bonds2

About 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione

4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione (PubChem CID 140604946) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
PubChem CID140604946
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
SMILESCc1ccc(C2NC(=S)N=C2Nc2ccccc2)cc1
InChIInChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)14-15(19-16(20)18-14)17-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,17,18,19,20)
InChIKeyGTWPUUVVBAGITF-UHFFFAOYSA-N
XLogP3.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.43
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-anilino-5-(3-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604940
4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 25220246
4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine
CID 122202658
3,4-dimethyl-6-(4-methylphenyl)-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carbothioamide
CID 82018044
4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 102090086
2-tert-butyl-N-(4-methylphenyl)-2H-1,4-benzoxazin-3-amine
CID 617142
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
5-methyl-N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 57292286
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The IUPAC name of 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione (CID 140604946) is 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione.
What is the SMILES notation for 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The canonical SMILES for 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione is Cc1ccc(C2NC(=S)N=C2Nc2ccccc2)cc1.
What is the InChIKey of 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
The InChIKey is GTWPUUVVBAGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)14-15(19-16(20)18-14)17-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,17,18,19,20).
What are the key properties of 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione?
4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione has a molecular weight of 281.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione is sourced from PubChem (CID 140604946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).