2,5-diethyl-1H-imidazol-4-ol

C7H12N2O — CID 57140513

IUPAC2,5-diethyl-1H-imidazol-4-ol
SMILESCCc1nc(O)c(CC)[nH]1
InChIInChI=1S/C7H12N2O/c1-3-5-7(10)9-6(4-2)8-5/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyGAKJADMPOLNUQR-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.24
Rot. Bonds2

About 2,5-diethyl-1H-imidazol-4-ol

2,5-diethyl-1H-imidazol-4-ol (PubChem CID 57140513) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,5-diethyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name2,5-diethyl-1H-imidazol-4-ol
PubChem CID57140513
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,5-diethyl-1H-imidazol-4-ol
SMILESCCc1nc(O)c(CC)[nH]1
InChIInChI=1S/C7H12N2O/c1-3-5-7(10)9-6(4-2)8-5/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyGAKJADMPOLNUQR-UHFFFAOYSA-N
XLogP1.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1H-imidazol-4-ol?
The IUPAC name of 2,5-diethyl-1H-imidazol-4-ol (CID 57140513) is 2,5-diethyl-1H-imidazol-4-ol.
What is the SMILES notation for 2,5-diethyl-1H-imidazol-4-ol?
The canonical SMILES for 2,5-diethyl-1H-imidazol-4-ol is CCc1nc(O)c(CC)[nH]1.
What is the InChIKey of 2,5-diethyl-1H-imidazol-4-ol?
The InChIKey is GAKJADMPOLNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5-7(10)9-6(4-2)8-5/h10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2,5-diethyl-1H-imidazol-4-ol?
2,5-diethyl-1H-imidazol-4-ol has a molecular weight of 140.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1H-imidazol-4-ol is sourced from PubChem (CID 57140513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).