N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine

C15H19N3O2 — CID 72516609

IUPACN-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCCc2nc[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11(18-19)13-5-7-14(8-6-13)20-9-3-4-15-12(2)16-10-17-15/h5-8,10,19H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyJJKQVSSOPUHKDO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.93
Rot. Bonds6

About N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine

N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 72516609) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine
PubChem CID72516609
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCCc2nc[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11(18-19)13-5-7-14(8-6-13)20-9-3-4-15-12(2)16-10-17-15/h5-8,10,19H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyJJKQVSSOPUHKDO-UHFFFAOYSA-N
XLogP2.93
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
CID 59099630
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
4-(2-methoxyethyl)-5-methyl-1H-imidazole
CID 173053461
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-pentoxybenzoate
CID 177411555
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine (CID 72516609) is N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(OCCCc2nc[nH]c2C)cc1.
What is the InChIKey of N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is JJKQVSSOPUHKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(18-19)13-5-7-14(8-6-13)20-9-3-4-15-12(2)16-10-17-15/h5-8,10,19H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 273.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(5-methyl-1H-imidazol-4-yl)propoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 72516609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).