2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide

C21H16N2O2 — CID 10903566

IUPAC2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1
InChIInChI=1S/C21H16N2O2/c22-21(23)14-9-10-18-15(11-14)12-19(25-18)17-8-4-7-16(20(17)24)13-5-2-1-3-6-13/h1-12,24H,(H3,22,23)
InChIKeyPUICDTWHASVUFT-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.76
Rot. Bonds3

About 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide

2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide (PubChem CID 10903566) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide
PubChem CID10903566
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1
InChIInChI=1S/C21H16N2O2/c22-21(23)14-9-10-18-15(11-14)12-19(25-18)17-8-4-7-16(20(17)24)13-5-2-1-3-6-13/h1-12,24H,(H3,22,23)
InChIKeyPUICDTWHASVUFT-UHFFFAOYSA-N
XLogP4.76
TPSA83.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.76
H-Bond Donors ≤ 53
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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Related Compounds

CID 47978
CID 47978
CID 147287
CID 147287
CID 439108
CID 439108
CID 9969646
CID 9969646
CID 10272465
CID 10272465
CID 11153457
CID 11153457
CID 11187537
CID 11187537
CID 11244461
CID 11244461
CID 11268462
CID 11268462
CID 11737520
CID 11737520
CID 25139354
CID 25139354
CID 23655930
CID 23655930

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide (CID 10903566) is 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1.
What is the InChIKey of 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide?
The InChIKey is PUICDTWHASVUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c22-21(23)14-9-10-18-15(11-14)12-19(25-18)17-8-4-7-16(20(17)24)13-5-2-1-3-6-13/h1-12,24H,(H3,22,23).
What are the key properties of 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide?
2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide has a molecular weight of 328.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylphenyl)-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 10903566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).