2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide

C16H15N3O — CID 14328877

IUPAC2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide
SMILESC/[N+]([O-])=C(/Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O/c1-18(20)16(11-19-9-8-17-12-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12H,11H2,1H3/b18-16+
InChIKeyVNZJFZNORMTWIB-FBMGVBCBSA-N
MW265.32 g/mol
LogP2.67
Rot. Bonds3

About 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide

2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide (PubChem CID 14328877) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide
PubChem CID14328877
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide
SMILESC/[N+]([O-])=C(/Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O/c1-18(20)16(11-19-9-8-17-12-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12H,11H2,1H3/b18-16+
InChIKeyVNZJFZNORMTWIB-FBMGVBCBSA-N
XLogP2.67
TPSA43.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
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
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole
CID 10354661
1H-Imidazole, 1-[2-(1,2,3,4-tetrahydro-1-naphthalenyl)ethyl]-
CID 10823139
1H-Imidazole, 1-[(2,4,6-trimethylphenyl)methyl]-
CID 583968
1H-Imidazole, 1-(1-naphthalenylmethyl)-
CID 588244
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
CID 510040
1-(1-Biphenyl-4-yl-propyl)-1H-imidazole
CID 44587233
1-(1-Biphenyl-4-yl-butyl)-1H-imidazole
CID 44587265
1-(1-Biphenyl-4-yl-2-methyl-propyl)-1H-imidazole
CID 44587266

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide?
The IUPAC name of 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide (CID 14328877) is 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide is C/[N+]([O-])=C(/Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide?
The InChIKey is VNZJFZNORMTWIB-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H15N3O/c1-18(20)16(11-19-9-8-17-12-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12H,11H2,1H3/b18-16+.
What are the key properties of 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide?
2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide has a molecular weight of 265.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-1-naphthalen-2-ylethanimine oxide is sourced from PubChem (CID 14328877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).