N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide

C14H18N4O3 — CID 103567567

IUPACN'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
SMILESCOc1cc(OCCCn2ccnc2)cc(/C(N)=N/O)c1
InChIInChI=1S/C14H18N4O3/c1-20-12-7-11(14(15)17-19)8-13(9-12)21-6-2-4-18-5-3-16-10-18/h3,5,7-10,19H,2,4,6H2,1H3,(H2,15,17)
InChIKeyNPKHVSKJAKNMFT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.46
Rot. Bonds7

About N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide

N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide (PubChem CID 103567567) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
PubChem CID103567567
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
SMILESCOc1cc(OCCCn2ccnc2)cc(/C(N)=N/O)c1
InChIInChI=1S/C14H18N4O3/c1-20-12-7-11(14(15)17-19)8-13(9-12)21-6-2-4-18-5-3-16-10-18/h3,5,7-10,19H,2,4,6H2,1H3,(H2,15,17)
InChIKeyNPKHVSKJAKNMFT-UHFFFAOYSA-N
XLogP1.46
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
CID 18921836
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
CID 106725416
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide (CID 103567567) is N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide is COc1cc(OCCCn2ccnc2)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide?
The InChIKey is NPKHVSKJAKNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-12-7-11(14(15)17-19)8-13(9-12)21-6-2-4-18-5-3-16-10-18/h3,5,7-10,19H,2,4,6H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide?
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide has a molecular weight of 290.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).