3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione

C15H15N3S — CID 115378586

IUPAC3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione
SMILESCN(C)c1cccc(-n2c(=S)[nH]c3ccccc32)c1
InChIInChI=1S/C15H15N3S/c1-17(2)11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)16-15(18)19/h3-10H,1-2H3,(H,16,19)
InChIKeyULGPFXAWHICLSB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.75
Rot. Bonds2

About 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione

3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione (PubChem CID 115378586) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione
PubChem CID115378586
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione
SMILESCN(C)c1cccc(-n2c(=S)[nH]c3ccccc32)c1
InChIInChI=1S/C15H15N3S/c1-17(2)11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)16-15(18)19/h3-10H,1-2H3,(H,16,19)
InChIKeyULGPFXAWHICLSB-UHFFFAOYSA-N
XLogP3.75
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione
CID 115378595
3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 29067670
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazole-2-thione
CID 107575750
3-(1,3-benzodioxol-5-yl)-1H-benzimidazole-2-thione
CID 29067666
3-(2,6-dimethylphenyl)-1H-benzimidazole-2-thione
CID 82088501
3-[4-(sulfanylmethyl)phenyl]-1H-benzimidazole-2-thione
CID 88999888
6-iodo-3-(3-iodophenyl)-1H-benzimidazole-2-thione
CID 66064909
3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
3-(2,3,5-trifluorophenyl)-1H-benzimidazole-2-thione
CID 62813883
3-(2-chloro-6-methylphenyl)-1H-benzimidazole-2-thione
CID 66251988
5-chloro-3-phenyl-1H-benzimidazole-2-thione
CID 3061814
6-iodo-3-(3-methoxyphenyl)-1H-benzimidazole-2-thione
CID 66064722

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione (CID 115378586) is 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione is CN(C)c1cccc(-n2c(=S)[nH]c3ccccc32)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione?
The InChIKey is ULGPFXAWHICLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-17(2)11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)16-15(18)19/h3-10H,1-2H3,(H,16,19).
What are the key properties of 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione?
3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione has a molecular weight of 269.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 115378586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).