4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione

C10H11N3S — CID 58763841

IUPAC4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccc(N)cc2)c[nH]c1=S
InChIInChI=1S/C10H11N3S/c1-13-9(6-12-10(13)14)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyYJYCOHRIQYDWJM-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.33
Rot. Bonds1

About 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione

4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione (PubChem CID 58763841) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione
PubChem CID58763841
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccc(N)cc2)c[nH]c1=S
InChIInChI=1S/C10H11N3S/c1-13-9(6-12-10(13)14)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyYJYCOHRIQYDWJM-UHFFFAOYSA-N
XLogP2.33
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione (CID 58763841) is 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione is Cn1c(-c2ccc(N)cc2)c[nH]c1=S.
What is the InChIKey of 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione?
The InChIKey is YJYCOHRIQYDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-13-9(6-12-10(13)14)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione?
4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione has a molecular weight of 205.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 58763841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).