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

C22H18N4S2 — CID 11689909

IUPAC4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cc4)s3)s2)cc1
InChIInChI=1S/C22H18N4S2/c23-21(24)15-5-1-13(2-6-15)17-9-11-19(27-17)20-12-10-18(28-20)14-3-7-16(8-4-14)22(25)26/h1-12H,(H3,23,24)(H3,25,26)
InChIKeyRARVJIWPKRBECK-UHFFFAOYSA-N
MW402.55 g/mol
LogP5.38
Rot. Bonds5

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

4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide (PubChem CID 11689909) has the molecular formula C22H18N4S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
PubChem CID11689909
Molecular FormulaC22H18N4S2
Molecular Weight402.55 g/mol
Exact Mass402.10
IUPAC Name4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cc4)s3)s2)cc1
InChIInChI=1S/C22H18N4S2/c23-21(24)15-5-1-13(2-6-15)17-9-11-19(27-17)20-12-10-18(28-20)14-3-7-16(8-4-14)22(25)26/h1-12H,(H3,23,24)(H3,25,26)
InChIKeyRARVJIWPKRBECK-UHFFFAOYSA-N
XLogP5.38
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 55.38
H-Bond Donors ≤ 54
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-carbamimidoylphenyl)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

Related Compounds

4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
CID 42614722
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
ethane;4-phenylbenzenecarboximidamide
CID 91221015
5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 163360794
borinine-4-carboximidamide
CID 141334946
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-[5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 53472843
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The IUPAC name of 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide (CID 11689909) is 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The canonical SMILES for 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cc4)s3)s2)cc1.
What is the InChIKey of 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
The InChIKey is RARVJIWPKRBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4S2/c23-21(24)15-5-1-13(2-6-15)17-9-11-19(27-17)20-12-10-18(28-20)14-3-7-16(8-4-14)22(25)26/h1-12H,(H3,23,24)(H3,25,26).
What are the key properties of 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide?
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide has a molecular weight of 402.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 11689909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).