2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol

C8H10N4O — CID 12998448

IUPAC2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol
SMILESOCCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C8H10N4O/c13-6-5-12-4-3-11-8(12)7-9-1-2-10-7/h1-4,13H,5-6H2,(H,9,10)
InChIKeyBRUYPAAHVZEIKK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.27
Rot. Bonds3

About 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol

2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol (PubChem CID 12998448) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol
PubChem CID12998448
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol
SMILESOCCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C8H10N4O/c13-6-5-12-4-3-11-8(12)7-9-1-2-10-7/h1-4,13H,5-6H2,(H,9,10)
InChIKeyBRUYPAAHVZEIKK-UHFFFAOYSA-N
XLogP0.27
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol (CID 12998448) is 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol is OCCn1ccnc1-c1ncc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol?
The InChIKey is BRUYPAAHVZEIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-6-5-12-4-3-11-8(12)7-9-1-2-10-7/h1-4,13H,5-6H2,(H,9,10).
What are the key properties of 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol?
2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol has a molecular weight of 178.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 12998448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).