2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine

C10H14N4 — CID 82281310

IUPAC2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
SMILESCn1ccc(-c2cn(CCN)cn2)c1
InChIInChI=1S/C10H14N4/c1-13-4-2-9(6-13)10-7-14(5-3-11)8-12-10/h2,4,6-8H,3,5,11H2,1H3
InChIKeyWMRVZAJFDBIFOH-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine

2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine (PubChem CID 82281310) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
PubChem CID82281310
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
SMILESCn1ccc(-c2cn(CCN)cn2)c1
InChIInChI=1S/C10H14N4/c1-13-4-2-9(6-13)10-7-14(5-3-11)8-12-10/h2,4,6-8H,3,5,11H2,1H3
InChIKeyWMRVZAJFDBIFOH-UHFFFAOYSA-N
XLogP0.85
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine 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-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine (CID 82281310) is 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine is Cn1ccc(-c2cn(CCN)cn2)c1.
What is the InChIKey of 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine?
The InChIKey is WMRVZAJFDBIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-13-4-2-9(6-13)10-7-14(5-3-11)8-12-10/h2,4,6-8H,3,5,11H2,1H3.
What are the key properties of 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine?
2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine has a molecular weight of 190.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).