1,2-di(imidazolidin-1-yl)ethanol

C8H18N4O — CID 68621254

IUPAC1,2-di(imidazolidin-1-yl)ethanol
SMILESOC(CN1CCNC1)N1CCNC1
InChIInChI=1S/C8H18N4O/c13-8(12-4-2-10-7-12)5-11-3-1-9-6-11/h8-10,13H,1-7H2
InChIKeyYJNCYYNMFGBCRT-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.97
Rot. Bonds3

About 1,2-di(imidazolidin-1-yl)ethanol

1,2-di(imidazolidin-1-yl)ethanol (PubChem CID 68621254) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2-di(imidazolidin-1-yl)ethanol.

Molecular Properties

Compound Name1,2-di(imidazolidin-1-yl)ethanol
PubChem CID68621254
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1,2-di(imidazolidin-1-yl)ethanol
SMILESOC(CN1CCNC1)N1CCNC1
InChIInChI=1S/C8H18N4O/c13-8(12-4-2-10-7-12)5-11-3-1-9-6-11/h8-10,13H,1-7H2
InChIKeyYJNCYYNMFGBCRT-UHFFFAOYSA-N
XLogP-1.97
TPSA50.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(imidazolidin-1-yl)ethanol?
The IUPAC name of 1,2-di(imidazolidin-1-yl)ethanol (CID 68621254) is 1,2-di(imidazolidin-1-yl)ethanol.
What is the SMILES notation for 1,2-di(imidazolidin-1-yl)ethanol?
The canonical SMILES for 1,2-di(imidazolidin-1-yl)ethanol is OC(CN1CCNC1)N1CCNC1.
What is the InChIKey of 1,2-di(imidazolidin-1-yl)ethanol?
The InChIKey is YJNCYYNMFGBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c13-8(12-4-2-10-7-12)5-11-3-1-9-6-11/h8-10,13H,1-7H2.
What are the key properties of 1,2-di(imidazolidin-1-yl)ethanol?
1,2-di(imidazolidin-1-yl)ethanol has a molecular weight of 186.26 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(imidazolidin-1-yl)ethanol is sourced from PubChem (CID 68621254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).