1,5-dimethylimidazole;ethane;phenol

C15H26N2O — CID 90880121

IUPAC1,5-dimethylimidazole;ethane;phenol
SMILESCC.CC.Cc1cncn1C.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H8N2.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-6-4-7(5)2;2*1-2/h1-5,7H;3-4H,1-2H3;2*1-2H3
InChIKeyKNGFTFNIMICOPV-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.17
Rot. Bonds

About 1,5-dimethylimidazole;ethane;phenol

1,5-dimethylimidazole;ethane;phenol (PubChem CID 90880121) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1,5-dimethylimidazole;ethane;phenol.

Molecular Properties

Compound Name1,5-dimethylimidazole;ethane;phenol
PubChem CID90880121
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1,5-dimethylimidazole;ethane;phenol
SMILESCC.CC.Cc1cncn1C.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H8N2.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-6-4-7(5)2;2*1-2/h1-5,7H;3-4H,1-2H3;2*1-2H3
InChIKeyKNGFTFNIMICOPV-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylimidazole;ethane;phenol?
The IUPAC name of 1,5-dimethylimidazole;ethane;phenol (CID 90880121) is 1,5-dimethylimidazole;ethane;phenol.
What is the SMILES notation for 1,5-dimethylimidazole;ethane;phenol?
The canonical SMILES for 1,5-dimethylimidazole;ethane;phenol is CC.CC.Cc1cncn1C.Oc1ccccc1.
What is the InChIKey of 1,5-dimethylimidazole;ethane;phenol?
The InChIKey is KNGFTFNIMICOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H8N2.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-6-4-7(5)2;2*1-2/h1-5,7H;3-4H,1-2H3;2*1-2H3.
What are the key properties of 1,5-dimethylimidazole;ethane;phenol?
1,5-dimethylimidazole;ethane;phenol has a molecular weight of 250.39 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylimidazole;ethane;phenol is sourced from PubChem (CID 90880121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).