5-(2-aminoethyl)-1H-imidazol-4-ol

C5H9N3O — CID 557598

IUPAC5-(2-aminoethyl)-1H-imidazol-4-ol
SMILESNCCc1[nH]cnc1O
InChIInChI=1S/C5H9N3O/c6-2-1-4-5(9)8-3-7-4/h3,9H,1-2,6H2,(H,7,8)
InChIKeyOEQKZMRJSSEHEM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.38
Rot. Bonds2

About 5-(2-aminoethyl)-1H-imidazol-4-ol

5-(2-aminoethyl)-1H-imidazol-4-ol (PubChem CID 557598) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(2-aminoethyl)-1H-imidazol-4-ol
PubChem CID557598
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-(2-aminoethyl)-1H-imidazol-4-ol
SMILESNCCc1[nH]cnc1O
InChIInChI=1S/C5H9N3O/c6-2-1-4-5(9)8-3-7-4/h3,9H,1-2,6H2,(H,7,8)
InChIKeyOEQKZMRJSSEHEM-UHFFFAOYSA-N
XLogP-0.38
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-imidazol-4-ol?
The IUPAC name of 5-(2-aminoethyl)-1H-imidazol-4-ol (CID 557598) is 5-(2-aminoethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 5-(2-aminoethyl)-1H-imidazol-4-ol?
The canonical SMILES for 5-(2-aminoethyl)-1H-imidazol-4-ol is NCCc1[nH]cnc1O.
What is the InChIKey of 5-(2-aminoethyl)-1H-imidazol-4-ol?
The InChIKey is OEQKZMRJSSEHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-2-1-4-5(9)8-3-7-4/h3,9H,1-2,6H2,(H,7,8).
What are the key properties of 5-(2-aminoethyl)-1H-imidazol-4-ol?
5-(2-aminoethyl)-1H-imidazol-4-ol has a molecular weight of 127.15 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 557598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).