4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione

C10H11N3S — CID 82506959

IUPAC4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione
SMILESNCc1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C10H11N3S/c11-6-9-7-12-10(14)13(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,14)
InChIKeyWGUHQIKHDBAXFX-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.99
Rot. Bonds2

About 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione

4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione (PubChem CID 82506959) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione
PubChem CID82506959
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione
SMILESNCc1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C10H11N3S/c11-6-9-7-12-10(14)13(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,14)
InChIKeyWGUHQIKHDBAXFX-UHFFFAOYSA-N
XLogP1.99
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82396622
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 7063948
4-ethyl-3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 81338745
2-[4-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetonitrile
CID 81336030
azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 18108153
benzyl 2-[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]acetate
CID 27711356
3-(3-butan-2-yloxyphenyl)-4-ethyl-1H-imidazole-2-thione
CID 81335677
N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 46652337
3-(3,5-difluorophenyl)-4-ethyl-1H-imidazole-2-thione
CID 81338772
3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24551430
3-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17481881

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione?
The IUPAC name of 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione (CID 82506959) is 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione is NCc1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione?
The InChIKey is WGUHQIKHDBAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-6-9-7-12-10(14)13(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,14).
What are the key properties of 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione?
4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione has a molecular weight of 205.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 82506959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).