4-(methoxymethyl)-1-benzothiophene-2-carboximidamide

C11H12N2OS — CID 89153115

IUPAC4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(COC)cccc2s1
InChIInChI=1S/C11H12N2OS/c1-14-6-7-3-2-4-9-8(7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyBNGBBXNBMFUOLG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.33
Rot. Bonds3

About 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide

4-(methoxymethyl)-1-benzothiophene-2-carboximidamide (PubChem CID 89153115) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
PubChem CID89153115
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(COC)cccc2s1
InChIInChI=1S/C11H12N2OS/c1-14-6-7-3-2-4-9-8(7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyBNGBBXNBMFUOLG-UHFFFAOYSA-N
XLogP2.33
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide (CID 89153115) is 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(COC)cccc2s1.
What is the InChIKey of 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide?
The InChIKey is BNGBBXNBMFUOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-6-7-3-2-4-9-8(7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H3,12,13).
What are the key properties of 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide?
4-(methoxymethyl)-1-benzothiophene-2-carboximidamide has a molecular weight of 220.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 89153115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).