2-butoxy-5-cyclopropyl-1H-imidazole

C10H16N2O — CID 23471330

IUPAC2-butoxy-5-cyclopropyl-1H-imidazole
SMILESCCCCOc1ncc(C2CC2)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-6-13-10-11-7-9(12-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyNSTBNQUXCKNWGR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.47
Rot. Bonds5

About 2-butoxy-5-cyclopropyl-1H-imidazole

2-butoxy-5-cyclopropyl-1H-imidazole (PubChem CID 23471330) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-butoxy-5-cyclopropyl-1H-imidazole.

Molecular Properties

Compound Name2-butoxy-5-cyclopropyl-1H-imidazole
PubChem CID23471330
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-butoxy-5-cyclopropyl-1H-imidazole
SMILESCCCCOc1ncc(C2CC2)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-6-13-10-11-7-9(12-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyNSTBNQUXCKNWGR-UHFFFAOYSA-N
XLogP2.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-cyclopropyl-1H-imidazole?
The IUPAC name of 2-butoxy-5-cyclopropyl-1H-imidazole (CID 23471330) is 2-butoxy-5-cyclopropyl-1H-imidazole.
What is the SMILES notation for 2-butoxy-5-cyclopropyl-1H-imidazole?
The canonical SMILES for 2-butoxy-5-cyclopropyl-1H-imidazole is CCCCOc1ncc(C2CC2)[nH]1.
What is the InChIKey of 2-butoxy-5-cyclopropyl-1H-imidazole?
The InChIKey is NSTBNQUXCKNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-6-13-10-11-7-9(12-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-butoxy-5-cyclopropyl-1H-imidazole?
2-butoxy-5-cyclopropyl-1H-imidazole has a molecular weight of 180.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-cyclopropyl-1H-imidazole is sourced from PubChem (CID 23471330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).