1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

C13H17N3O2 — CID 63001959

IUPAC1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ncc[nH]2)cc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-10(6-12(7-11)18-2)8-14-9-13-15-3-4-16-13/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyIMLKQYIIOIIKPU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.72
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 63001959) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID63001959
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ncc[nH]2)cc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-10(6-12(7-11)18-2)8-14-9-13-15-3-4-16-13/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyIMLKQYIIOIIKPU-UHFFFAOYSA-N
XLogP1.72
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)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 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (CID 63001959) is 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is COc1cc(CNCc2ncc[nH]2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is IMLKQYIIOIIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-5-10(6-12(7-11)18-2)8-14-9-13-15-3-4-16-13/h3-7,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63001959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).