2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine

C9H12N4 — CID 10012446

IUPAC2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C9H12N4/c10-4-3-7-6-12-9(13-7)8-2-1-5-11-8/h1-2,5-6,11H,3-4,10H2,(H,12,13)
InChIKeyXYXRUVGMNIPXGA-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.91
Rot. Bonds3

About 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine

2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10012446) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine
PubChem CID10012446
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C9H12N4/c10-4-3-7-6-12-9(13-7)8-2-1-5-11-8/h1-2,5-6,11H,3-4,10H2,(H,12,13)
InChIKeyXYXRUVGMNIPXGA-UHFFFAOYSA-N
XLogP0.91
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine (CID 10012446) is 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2ccc[nH]2)[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is XYXRUVGMNIPXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-4-3-7-6-12-9(13-7)8-2-1-5-11-8/h1-2,5-6,11H,3-4,10H2,(H,12,13).
What are the key properties of 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine?
2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 176.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10012446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).