(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine

C15H13N3O — CID 11807111

IUPAC(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine
SMILESO/N=C(\Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C15H13N3O/c19-17-15(10-18-8-7-16-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,19H,10H2/b17-15+
InChIKeyYCKOBTDYLIZRDR-BMRADRMJSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds3

About (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine

(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine (PubChem CID 11807111) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine
PubChem CID11807111
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine
SMILESO/N=C(\Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C15H13N3O/c19-17-15(10-18-8-7-16-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,19H,10H2/b17-15+
InChIKeyYCKOBTDYLIZRDR-BMRADRMJSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021558
1-methyl-5-(2-naphthyl)-1H-imidazole
CID 11550235
1H-Imidazole, 1-(2-naphthalenylmethyl)-
CID 186582
1H-Imidazole, 1-[2-(1,2,3,4-tetrahydro-1-naphthalenyl)ethyl]-
CID 10823139
1H-Imidazole, 1-(1-naphthalenylmethyl)-
CID 588244
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
CID 510040
1-[(7-Fluoronaphth-2-yl)methyl]-1H-imidazole
CID 46887506
2-methyl-1-(1-naphthylmethyl)-1H-imidazole
CID 2859675
4-(Imidazol-1-ylmethyl)naphthalene-1-carbonitrile
CID 14231150
1-Benzyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium bromide
CID 46927943
1,3-Bis(naphthalen-2-ylmethyl)imidazolium bromide
CID 49863739
1H-Imidazole, 1-(2,2-bis(methylthio)-2-(2-naphthalenyl)ethyl)-, monohydrochloride
CID 3054126

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine (CID 11807111) is (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine is O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine?
The InChIKey is YCKOBTDYLIZRDR-BMRADRMJSA-N. The full InChI is InChI=1S/C15H13N3O/c19-17-15(10-18-8-7-16-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,19H,10H2/b17-15+.
What are the key properties of (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine?
(NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine has a molecular weight of 251.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 11807111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).