4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline

C19H17N3S2 — CID 10247401

IUPAC4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H17N3S2/c1-22(2)14-9-7-13(8-10-14)19-20-17(15-5-3-11-23-15)18(21-19)16-6-4-12-24-16/h3-12H,1-2H3,(H,20,21)
InChIKeyWEJPNZIYGAWPIG-UHFFFAOYSA-N
MW351.50 g/mol
LogP5.60
Rot. Bonds4

About 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline

4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline (PubChem CID 10247401) has the molecular formula C19H17N3S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline
PubChem CID10247401
Molecular FormulaC19H17N3S2
Molecular Weight351.50 g/mol
Exact Mass351.09
IUPAC Name4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H17N3S2/c1-22(2)14-9-7-13(8-10-14)19-20-17(15-5-3-11-23-15)18(21-19)16-6-4-12-24-16/h3-12H,1-2H3,(H,20,21)
InChIKeyWEJPNZIYGAWPIG-UHFFFAOYSA-N
XLogP5.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline (CID 10247401) is 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline?
The InChIKey is WEJPNZIYGAWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S2/c1-22(2)14-9-7-13(8-10-14)19-20-17(15-5-3-11-23-15)18(21-19)16-6-4-12-24-16/h3-12H,1-2H3,(H,20,21).
What are the key properties of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline?
4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline has a molecular weight of 351.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 10247401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).