2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline

C20H16N2S — CID 166722843

IUPAC2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline
SMILES[H]/N=C(/c1ccc2c(c1)sc1ccccc12)c1ccccc1NC
InChIInChI=1S/C20H16N2S/c1-22-17-8-4-2-7-16(17)20(21)13-10-11-15-14-6-3-5-9-18(14)23-19(15)12-13/h2-12,21-22H,1H3/b21-20-
InChIKeyLTJGWLSMDUJNDJ-MRCUWXFGSA-N
MW316.43 g/mol
LogP5.51
Rot. Bonds3

About 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline

2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline (PubChem CID 166722843) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline.

Molecular Properties

Compound Name2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline
PubChem CID166722843
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline
SMILES[H]/N=C(/c1ccc2c(c1)sc1ccccc12)c1ccccc1NC
InChIInChI=1S/C20H16N2S/c1-22-17-8-4-2-7-16(17)20(21)13-10-11-15-14-6-3-5-9-18(14)23-19(15)12-13/h2-12,21-22H,1H3/b21-20-
InChIKeyLTJGWLSMDUJNDJ-MRCUWXFGSA-N
XLogP5.51
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 144645655
4-[4-[2-(methylamino)benzenecarboximidoyl]phenyl]benzonitrile
CID 163687396
4-[2-[[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]methylamino]benzenecarboximidoyl]benzonitrile
CID 121291550
2-(benzenecarboximidoyl)-N-[[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]methyl]aniline
CID 121291545
2-(methylamino)benzenecarboximidoyl fluoride
CID 138666173
bis(dibenzothiophene);ethane
CID 143921746
N-methyldibenzothiophen-2-amine
CID 138617905
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
CID 145387163
1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
CID 144572461
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
CID 142319431
N'-(C-dibenzothiophen-3-yl-N-methylcarbonimidoyl)dibenzothiophene-3-carboximidamide
CID 170252550

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline?
The IUPAC name of 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline (CID 166722843) is 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline.
What is the SMILES notation for 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline?
The canonical SMILES for 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline is [H]/N=C(/c1ccc2c(c1)sc1ccccc12)c1ccccc1NC.
What is the InChIKey of 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline?
The InChIKey is LTJGWLSMDUJNDJ-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H16N2S/c1-22-17-8-4-2-7-16(17)20(21)13-10-11-15-14-6-3-5-9-18(14)23-19(15)12-13/h2-12,21-22H,1H3/b21-20-.
What are the key properties of 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline?
2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline has a molecular weight of 316.43 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline is sourced from PubChem (CID 166722843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).