2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine

C17H19N3O — CID 63954680

IUPAC2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C17H19N3O/c1-21-9-8-18-12-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-11,18H,8-9,12H2,1H3,(H,19,20)
InChIKeyMPIBBDAOCLXKIY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds6

About 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine

2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine (PubChem CID 63954680) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
PubChem CID63954680
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C17H19N3O/c1-21-9-8-18-12-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-11,18H,8-9,12H2,1H3,(H,19,20)
InChIKeyMPIBBDAOCLXKIY-UHFFFAOYSA-N
XLogP2.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 63954065
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 63954276
N-[[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877341
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
1-(2-methoxyethyl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 110942436
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 119128377
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine (CID 63954680) is 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine is COCCNCc1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The InChIKey is MPIBBDAOCLXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-9-8-18-12-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-11,18H,8-9,12H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63954680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).