N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline

C21H19N3S — CID 712255

IUPACN,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C21H19N3S/c1-24(2)17-12-10-16(11-13-17)21-22-19(15-7-4-3-5-8-15)20(23-21)18-9-6-14-25-18/h3-14H,1-2H3,(H,22,23)
InChIKeyICAYWZVOQUDCDT-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.54
Rot. Bonds4

About N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline

N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline (PubChem CID 712255) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
PubChem CID712255
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC NameN,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C21H19N3S/c1-24(2)17-12-10-16(11-13-17)21-22-19(15-7-4-3-5-8-15)20(23-21)18-9-6-14-25-18/h3-14H,1-2H3,(H,22,23)
InChIKeyICAYWZVOQUDCDT-UHFFFAOYSA-N
XLogP5.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline (CID 712255) is N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline is CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline?
The InChIKey is ICAYWZVOQUDCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-24(2)17-12-10-16(11-13-17)21-22-19(15-7-4-3-5-8-15)20(23-21)18-9-6-14-25-18/h3-14H,1-2H3,(H,22,23).
What are the key properties of N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline?
N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline has a molecular weight of 345.47 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 712255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).