2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol

C17H19N3O — CID 61326336

IUPAC2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCn1ccnc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H19N3O/c1-13(19-9-11-20-10-8-18-12-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-8,10,12-13,19,21H,9,11H2,1H3
InChIKeyDYANDBCWVIURQG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds5

About 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol

2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol (PubChem CID 61326336) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
PubChem CID61326336
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCn1ccnc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H19N3O/c1-13(19-9-11-20-10-8-18-12-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-8,10,12-13,19,21H,9,11H2,1H3
InChIKeyDYANDBCWVIURQG-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
2,3-dichloro-6-[(1S)-1-(2-imidazol-1-ylethylamino)propyl]phenol
CID 129392908

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol (CID 61326336) is 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol is CC(NCCn1ccnc1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol?
The InChIKey is DYANDBCWVIURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(19-9-11-20-10-8-18-12-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-8,10,12-13,19,21H,9,11H2,1H3.
What are the key properties of 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol?
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 61326336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).