bis(2-ethyl-1H-imidazole);hydrate

C10H18N4O — CID 70001211

IUPACbis(2-ethyl-1H-imidazole);hydrate
SMILESCCc1ncc[nH]1.CCc1ncc[nH]1.O
InChIInChI=1S/2C5H8N2.H2O/c2*1-2-5-6-3-4-7-5;/h2*3-4H,2H2,1H3,(H,6,7);1H2
InChIKeyOFAFPITYZHLUDL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.12
Rot. Bonds2

About bis(2-ethyl-1H-imidazole);hydrate

bis(2-ethyl-1H-imidazole);hydrate (PubChem CID 70001211) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is bis(2-ethyl-1H-imidazole);hydrate.

Molecular Properties

Compound Namebis(2-ethyl-1H-imidazole);hydrate
PubChem CID70001211
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Namebis(2-ethyl-1H-imidazole);hydrate
SMILESCCc1ncc[nH]1.CCc1ncc[nH]1.O
InChIInChI=1S/2C5H8N2.H2O/c2*1-2-5-6-3-4-7-5;/h2*3-4H,2H2,1H3,(H,6,7);1H2
InChIKeyOFAFPITYZHLUDL-UHFFFAOYSA-N
XLogP1.12
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;methanol
CID 176573862
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-octyl-1H-imidazole
CID 18347297
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-dodecyl-1H-imidazole
CID 22019838

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-1H-imidazole);hydrate?
The IUPAC name of bis(2-ethyl-1H-imidazole);hydrate (CID 70001211) is bis(2-ethyl-1H-imidazole);hydrate.
What is the SMILES notation for bis(2-ethyl-1H-imidazole);hydrate?
The canonical SMILES for bis(2-ethyl-1H-imidazole);hydrate is CCc1ncc[nH]1.CCc1ncc[nH]1.O.
What is the InChIKey of bis(2-ethyl-1H-imidazole);hydrate?
The InChIKey is OFAFPITYZHLUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.H2O/c2*1-2-5-6-3-4-7-5;/h2*3-4H,2H2,1H3,(H,6,7);1H2.
What are the key properties of bis(2-ethyl-1H-imidazole);hydrate?
bis(2-ethyl-1H-imidazole);hydrate has a molecular weight of 210.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-1H-imidazole);hydrate is sourced from PubChem (CID 70001211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).