2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol

C8H17N3O2 — CID 107865194

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1=NCCN1
InChIInChI=1S/C8H17N3O2/c1-2-8(5-12,6-13)11-7-9-3-4-10-7/h12-13H,2-6H2,1H3,(H2,9,10,11)
InChIKeyGBHSKBHOTXCZMI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.33
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol

2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol (PubChem CID 107865194) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol
PubChem CID107865194
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1=NCCN1
InChIInChI=1S/C8H17N3O2/c1-2-8(5-12,6-13)11-7-9-3-4-10-7/h12-13H,2-6H2,1H3,(H2,9,10,11)
InChIKeyGBHSKBHOTXCZMI-UHFFFAOYSA-N
XLogP-1.33
TPSA76.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol (CID 107865194) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol?
The InChIKey is GBHSKBHOTXCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-8(5-12,6-13)11-7-9-3-4-10-7/h12-13H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol?
2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol has a molecular weight of 187.24 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107865194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).