2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol

C9H16N2O — CID 56996825

IUPAC2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol
SMILESCCc1nc(O)c(CC(C)C)[nH]1
InChIInChI=1S/C9H16N2O/c1-4-8-10-7(5-6(2)3)9(12)11-8/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyAPXDKFFAGYQVBR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.88
Rot. Bonds3

About 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol

2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol (PubChem CID 56996825) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol
PubChem CID56996825
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol
SMILESCCc1nc(O)c(CC(C)C)[nH]1
InChIInChI=1S/C9H16N2O/c1-4-8-10-7(5-6(2)3)9(12)11-8/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyAPXDKFFAGYQVBR-UHFFFAOYSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol (CID 56996825) is 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol is CCc1nc(O)c(CC(C)C)[nH]1.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol?
The InChIKey is APXDKFFAGYQVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-8-10-7(5-6(2)3)9(12)11-8/h6,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol?
2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol has a molecular weight of 168.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol is sourced from PubChem (CID 56996825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).