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

C9H11N3O — CID 10261635

IUPAC2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccco2)[nH]1
InChIInChI=1S/C9H11N3O/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyHHVCWBVWEARUOQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.17
Rot. Bonds3

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

2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10261635) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine
PubChem CID10261635
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccco2)[nH]1
InChIInChI=1S/C9H11N3O/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyHHVCWBVWEARUOQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine (CID 10261635) is 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2ccco2)[nH]1.
What is the InChIKey of 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is HHVCWBVWEARUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12).
What are the key properties of 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine?
2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 177.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10261635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).