4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide

C22H18N2OS2 — CID 164946263

IUPAC4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C22H18N2OS2/c1-25-17-8-6-15(7-9-17)19-11-13-21(27-19)20-12-10-18(26-20)14-2-4-16(5-3-14)22(23)24/h2-13H,1H3,(H3,23,24)
InChIKeyWZRNXAZPUJDGEX-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.10
Rot. Bonds5

About 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide

4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide (PubChem CID 164946263) has the molecular formula C22H18N2OS2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
PubChem CID164946263
Molecular FormulaC22H18N2OS2
Molecular Weight390.53 g/mol
Exact Mass390.09
IUPAC Name4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C22H18N2OS2/c1-25-17-8-6-15(7-9-17)19-11-13-21(27-19)20-12-10-18(26-20)14-2-4-16(5-3-14)22(23)24/h2-13H,1H3,(H3,23,24)
InChIKeyWZRNXAZPUJDGEX-UHFFFAOYSA-N
XLogP6.10
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The IUPAC name of 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide (CID 164946263) is 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The canonical SMILES for 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(OC)cc4)s3)s2)cc1.
What is the InChIKey of 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The InChIKey is WZRNXAZPUJDGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS2/c1-25-17-8-6-15(7-9-17)19-11-13-21(27-19)20-12-10-18(26-20)14-2-4-16(5-3-14)22(23)24/h2-13H,1H3,(H3,23,24).
What are the key properties of 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide has a molecular weight of 390.53 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 164946263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).