N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine

C16H17N3O — CID 63001644

IUPACN-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNCc1ncc[nH]1
InChIInChI=1S/C16H17N3O/c1-20-15-7-6-12-4-2-3-5-13(12)14(15)10-17-11-16-18-8-9-19-16/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeySDVQCFPSERZXFY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.86
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine (PubChem CID 63001644) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
PubChem CID63001644
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNCc1ncc[nH]1
InChIInChI=1S/C16H17N3O/c1-20-15-7-6-12-4-2-3-5-13(12)14(15)10-17-11-16-18-8-9-19-16/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeySDVQCFPSERZXFY-UHFFFAOYSA-N
XLogP2.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine (CID 63001644) is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine is COc1ccc2ccccc2c1CNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine?
The InChIKey is SDVQCFPSERZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-15-7-6-12-4-2-3-5-13(12)14(15)10-17-11-16-18-8-9-19-16/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 63001644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).