1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide

C21H16ClN3S — CID 146330763

IUPAC1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide
SMILESC/N=C(/N=C(\N)c1ccc(Cl)c2c1sc1ccccc12)c1ccccc1
InChIInChI=1S/C21H16ClN3S/c1-24-21(13-7-3-2-4-8-13)25-20(23)15-11-12-16(22)18-14-9-5-6-10-17(14)26-19(15)18/h2-12H,1H3,(H2,23,24,25)
InChIKeyVEUKZRIMDXAWKO-UHFFFAOYSA-N
MW377.90 g/mol
LogP5.49
Rot. Bonds2

About 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide

1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide (PubChem CID 146330763) has the molecular formula C21H16ClN3S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide.

Molecular Properties

Compound Name1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide
PubChem CID146330763
Molecular FormulaC21H16ClN3S
Molecular Weight377.90 g/mol
Exact Mass377.08
IUPAC Name1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide
SMILESC/N=C(/N=C(\N)c1ccc(Cl)c2c1sc1ccccc12)c1ccccc1
InChIInChI=1S/C21H16ClN3S/c1-24-21(13-7-3-2-4-8-13)25-20(23)15-11-12-16(22)18-14-9-5-6-10-17(14)26-19(15)18/h2-12H,1H3,(H2,23,24,25)
InChIKeyVEUKZRIMDXAWKO-UHFFFAOYSA-N
XLogP5.49
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.90
LogP ≤ 55.49
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'}

Analyze 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(C-dibenzothiophen-3-yl-N-methylcarbonimidoyl)dibenzothiophene-3-carboximidamide
CID 170252550
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
N'-[N-(dibenzothiophen-4-ylmethyl)-C-phenylcarbonimidoyl]-4,8-diphenyldibenzofuran-1-carboximidamide
CID 153340749
2-(1-chlorodibenzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142519018
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
3-chlorodibenzothiophen-4-ol
CID 901536
sodium 1-chloro-9-oxothioxanthen-4-olate
CID 140620629
N-[amino(phenyl)methylidene]-N'-(1-dibenzothiophen-4-ylethyl)-5a,9a-dihydrodibenzothiophene-4-carboximidamide
CID 163651163
3-N-(1-chlorodibenzothiophen-4-yl)-1-N,1-N,3-N-triphenyldibenzothiophene-1,3-diamine
CID 146551476

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide?
The IUPAC name of 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide (CID 146330763) is 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide.
What is the SMILES notation for 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide?
The canonical SMILES for 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide is C/N=C(/N=C(\N)c1ccc(Cl)c2c1sc1ccccc12)c1ccccc1.
What is the InChIKey of 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide?
The InChIKey is VEUKZRIMDXAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3S/c1-24-21(13-7-3-2-4-8-13)25-20(23)15-11-12-16(22)18-14-9-5-6-10-17(14)26-19(15)18/h2-12H,1H3,(H2,23,24,25).
What are the key properties of 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide?
1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide has a molecular weight of 377.90 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N'-(N-methyl-C-phenylcarbonimidoyl)dibenzothiophene-4-carboximidamide is sourced from PubChem (CID 146330763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).