N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine

C7H11N3 — CID 171790998

IUPACN-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine
SMILESC=C(NC)C1=NCN=C1C
InChIInChI=1S/C7H11N3/c1-5(8-3)7-6(2)9-4-10-7/h8H,1,4H2,2-3H3
InChIKeyPDUVUWFAZXMXOP-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.59
Rot. Bonds2

About N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine

N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine (PubChem CID 171790998) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine
PubChem CID171790998
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine
SMILESC=C(NC)C1=NCN=C1C
InChIInChI=1S/C7H11N3/c1-5(8-3)7-6(2)9-4-10-7/h8H,1,4H2,2-3H3
InChIKeyPDUVUWFAZXMXOP-UHFFFAOYSA-N
XLogP0.59
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine 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-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine?
The IUPAC name of N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine (CID 171790998) is N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine?
The canonical SMILES for N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine is C=C(NC)C1=NCN=C1C.
What is the InChIKey of N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine?
The InChIKey is PDUVUWFAZXMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(8-3)7-6(2)9-4-10-7/h8H,1,4H2,2-3H3.
What are the key properties of N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine?
N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine has a molecular weight of 137.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine is sourced from PubChem (CID 171790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).