2-butyl-1H-imidazol-5-ol

C7H12N2O — CID 11446377

IUPAC2-butyl-1H-imidazol-5-ol
SMILESCCCCc1ncc(O)[nH]1
InChIInChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyIOGVQLMNLMKWQF-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.46
Rot. Bonds3

About 2-butyl-1H-imidazol-5-ol

2-butyl-1H-imidazol-5-ol (PubChem CID 11446377) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-butyl-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-butyl-1H-imidazol-5-ol
PubChem CID11446377
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-butyl-1H-imidazol-5-ol
SMILESCCCCc1ncc(O)[nH]1
InChIInChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyIOGVQLMNLMKWQF-UHFFFAOYSA-N
XLogP1.46
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-imidazol-5-ol?
The IUPAC name of 2-butyl-1H-imidazol-5-ol (CID 11446377) is 2-butyl-1H-imidazol-5-ol.
What is the SMILES notation for 2-butyl-1H-imidazol-5-ol?
The canonical SMILES for 2-butyl-1H-imidazol-5-ol is CCCCc1ncc(O)[nH]1.
What is the InChIKey of 2-butyl-1H-imidazol-5-ol?
The InChIKey is IOGVQLMNLMKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-butyl-1H-imidazol-5-ol?
2-butyl-1H-imidazol-5-ol has a molecular weight of 140.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-imidazol-5-ol is sourced from PubChem (CID 11446377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).