[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine

C8H11N5 — CID 69238526

IUPAC[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine
SMILESCn1cnc(-c2ncc(CN)[nH]2)c1
InChIInChI=1S/C8H11N5/c1-13-4-7(11-5-13)8-10-3-6(2-9)12-8/h3-5H,2,9H2,1H3,(H,10,12)
InChIKeyQDSSUJIHVPIGPZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.27
Rot. Bonds2

About [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine

[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 69238526) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine
PubChem CID69238526
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine
SMILESCn1cnc(-c2ncc(CN)[nH]2)c1
InChIInChI=1S/C8H11N5/c1-13-4-7(11-5-13)8-10-3-6(2-9)12-8/h3-5H,2,9H2,1H3,(H,10,12)
InChIKeyQDSSUJIHVPIGPZ-UHFFFAOYSA-N
XLogP0.27
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1-methylimidazol-4-yl)-1H-imidazol-5-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 [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine (CID 69238526) is [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine is Cn1cnc(-c2ncc(CN)[nH]2)c1.
What is the InChIKey of [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is QDSSUJIHVPIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-13-4-7(11-5-13)8-10-3-6(2-9)12-8/h3-5H,2,9H2,1H3,(H,10,12).
What are the key properties of [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine?
[2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-4-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 69238526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).