2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol

C5H11N3O — CID 657517

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol
SMILESOCCNC1=NCCN1
InChIInChI=1S/C5H11N3O/c9-4-3-8-5-6-1-2-7-5/h9H,1-4H2,(H2,6,7,8)
InChIKeyJNYANWIWCCDZOZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.47
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol

2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol (PubChem CID 657517) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol
PubChem CID657517
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol
SMILESOCCNC1=NCCN1
InChIInChI=1S/C5H11N3O/c9-4-3-8-5-6-1-2-7-5/h9H,1-4H2,(H2,6,7,8)
InChIKeyJNYANWIWCCDZOZ-UHFFFAOYSA-N
XLogP-1.47
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol (CID 657517) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol is OCCNC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol?
The InChIKey is JNYANWIWCCDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c9-4-3-8-5-6-1-2-7-5/h9H,1-4H2,(H2,6,7,8).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol?
2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol has a molecular weight of 129.16 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol is sourced from PubChem (CID 657517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).