(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine

C15H19N3O2 — CID 10849869

IUPAC(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCCCc2cnc[nH]2)cc1C
InChIInChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,16,17)/b18-12+
InChIKeyQMOIXXVAVNPZJY-LDADJPATSA-N
MW273.34 g/mol
LogP2.93
Rot. Bonds6

About (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine (PubChem CID 10849869) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine
PubChem CID10849869
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCCCc2cnc[nH]2)cc1C
InChIInChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,16,17)/b18-12+
InChIKeyQMOIXXVAVNPZJY-LDADJPATSA-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

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
Imidazole, 4-(2-(2-naphthyloxy)ethyl)-
CID 202200
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
1-(tert-Butylamino)-3-{4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy}propan-2-ol
CID 13621758

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine (CID 10849869) is (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(OCCCc2cnc[nH]2)cc1C.
What is the InChIKey of (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is QMOIXXVAVNPZJY-LDADJPATSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,16,17)/b18-12+.
What are the key properties of (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]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 (NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]-2-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 10849869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).