N'-benzyldibenzothiophene-1-carboximidamide

C20H16N2S — CID 145448040

IUPACN'-benzyldibenzothiophene-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C20H16N2S/c21-20(22-13-14-7-2-1-3-8-14)16-10-6-12-18-19(16)15-9-4-5-11-17(15)23-18/h1-12H,13H2,(H2,21,22)
InChIKeyMANGXYBKQGNRGJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.96
Rot. Bonds3

About N'-benzyldibenzothiophene-1-carboximidamide

N'-benzyldibenzothiophene-1-carboximidamide (PubChem CID 145448040) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N'-benzyldibenzothiophene-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyldibenzothiophene-1-carboximidamide
PubChem CID145448040
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC NameN'-benzyldibenzothiophene-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C20H16N2S/c21-20(22-13-14-7-2-1-3-8-14)16-10-6-12-18-19(16)15-9-4-5-11-17(15)23-18/h1-12H,13H2,(H2,21,22)
InChIKeyMANGXYBKQGNRGJ-UHFFFAOYSA-N
XLogP4.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-benzylimino-3-dibenzothiophen-1-yl-1-[4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]prop-1-en-1-amine
CID 176834640
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309
1-methyldibenzothiophene
CID 23839
1-phenyldibenzothiophene;hydrobromide
CID 174679709
(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145017001
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
CID 167008229
dibenzothiophene-1-diazonium
CID 71331695
1-(methoxymethyl)dibenzothiophene
CID 174808935
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
4-N'-benzyl-5-methylsulfanylthiophene-2,4-dicarboximidamide
CID 18537123
8-(4-phenanthren-3-ylnaphthalen-1-yl)dibenzothiophene-1-carboximidamide;phenylmethanamine;toluene
CID 145447770

Frequently Asked Questions

What is the IUPAC name of N'-benzyldibenzothiophene-1-carboximidamide?
The IUPAC name of N'-benzyldibenzothiophene-1-carboximidamide (CID 145448040) is N'-benzyldibenzothiophene-1-carboximidamide.
What is the SMILES notation for N'-benzyldibenzothiophene-1-carboximidamide?
The canonical SMILES for N'-benzyldibenzothiophene-1-carboximidamide is N/C(=N\Cc1ccccc1)c1cccc2sc3ccccc3c12.
What is the InChIKey of N'-benzyldibenzothiophene-1-carboximidamide?
The InChIKey is MANGXYBKQGNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c21-20(22-13-14-7-2-1-3-8-14)16-10-6-12-18-19(16)15-9-4-5-11-17(15)23-18/h1-12H,13H2,(H2,21,22).
What are the key properties of N'-benzyldibenzothiophene-1-carboximidamide?
N'-benzyldibenzothiophene-1-carboximidamide has a molecular weight of 316.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyldibenzothiophene-1-carboximidamide is sourced from PubChem (CID 145448040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).