N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide

C22H18N2O3 — CID 156653505

IUPACN-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(COc2ccccc2)c1)c1ccc2occc2c1
InChIInChI=1S/C22H18N2O3/c25-24-22(18-9-10-21-17(14-18)11-12-26-21)23-19-6-4-5-16(13-19)15-27-20-7-2-1-3-8-20/h1-14,25H,15H2,(H,23,24)
InChIKeyZKTNRBYXMAECHT-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.07
Rot. Bonds5

About N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide

N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide (PubChem CID 156653505) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide
PubChem CID156653505
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(COc2ccccc2)c1)c1ccc2occc2c1
InChIInChI=1S/C22H18N2O3/c25-24-22(18-9-10-21-17(14-18)11-12-26-21)23-19-6-4-5-16(13-19)15-27-20-7-2-1-3-8-20/h1-14,25H,15H2,(H,23,24)
InChIKeyZKTNRBYXMAECHT-UHFFFAOYSA-N
XLogP5.07
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.07
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 24994860
3-(1-benzofuran-6-yloxymethyl)benzoic acid
CID 155153911
1-isocyanato-3-(phenoxymethyl)benzene
CID 18525913
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
6-[(3-iodophenyl)methoxy]-1-benzofuran
CID 59010068
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
5-(diphenoxymethyl)-1-benzofuran
CID 140773853
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
CID 177429054
1-(cyclopropylmethyl)-2-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]guanidine
CID 111869560

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide (CID 156653505) is N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide is ON/C(=N\c1cccc(COc2ccccc2)c1)c1ccc2occc2c1.
What is the InChIKey of N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide?
The InChIKey is ZKTNRBYXMAECHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-24-22(18-9-10-21-17(14-18)11-12-26-21)23-19-6-4-5-16(13-19)15-27-20-7-2-1-3-8-20/h1-14,25H,15H2,(H,23,24).
What are the key properties of N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide?
N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide has a molecular weight of 358.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).