4-phenyl-1-benzothiophene-2-carboximidamide

C15H12N2S — CID 15230353

IUPAC4-phenyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(-c3ccccc3)cccc2s1
InChIInChI=1S/C15H12N2S/c16-15(17)14-9-12-11(7-4-8-13(12)18-14)10-5-2-1-3-6-10/h1-9H,(H3,16,17)
InChIKeyHKXOXDHVUZHJFV-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.85
Rot. Bonds2

About 4-phenyl-1-benzothiophene-2-carboximidamide

4-phenyl-1-benzothiophene-2-carboximidamide (PubChem CID 15230353) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-phenyl-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-phenyl-1-benzothiophene-2-carboximidamide
PubChem CID15230353
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name4-phenyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(-c3ccccc3)cccc2s1
InChIInChI=1S/C15H12N2S/c16-15(17)14-9-12-11(7-4-8-13(12)18-14)10-5-2-1-3-6-10/h1-9H,(H3,16,17)
InChIKeyHKXOXDHVUZHJFV-UHFFFAOYSA-N
XLogP3.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
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

B-428
CID 1747
1-Benzothiophene-2-carboximidamide
CID 444754
4-Iodobenzo(B)Thiophene-2-Carboxamidine
CID 1746
Benzo[B]Thiophene-2-Carboxamidine
CID 444753
2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
CID 145768
4-[5-(4-Carbamimidoylphenyl)-2-thienyl]benzamidine
CID 439130
4-iodo-1-benzothiophene-2-carboxiMidaMide hydrochloride
CID 9797957
4-Methyl-benzo[b]thiophene-2-carboxamidine(B428)
CID 15230351
5-(5-Phenylthiophen-2-yl)thiophene-2-carboximidamide
CID 155528737
2-(4-Carbamimidoylphenyl)benzothiophene-5-carboxamidine
CID 439101
3-[5-(3-Carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 11749718
5-Phenyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007350

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-phenyl-1-benzothiophene-2-carboximidamide (CID 15230353) is 4-phenyl-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-phenyl-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-phenyl-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(-c3ccccc3)cccc2s1.
What is the InChIKey of 4-phenyl-1-benzothiophene-2-carboximidamide?
The InChIKey is HKXOXDHVUZHJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c16-15(17)14-9-12-11(7-4-8-13(12)18-14)10-5-2-1-3-6-10/h1-9H,(H3,16,17).
What are the key properties of 4-phenyl-1-benzothiophene-2-carboximidamide?
4-phenyl-1-benzothiophene-2-carboximidamide has a molecular weight of 252.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 15230353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).