5-[3-(3-methylbutoxy)propyl]-1H-imidazole

C11H20N2O — CID 10465285

IUPAC5-[3-(3-methylbutoxy)propyl]-1H-imidazole
SMILESCC(C)CCOCCCc1cnc[nH]1
InChIInChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyZILNBNQXSUAOGP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.40
Rot. Bonds7

About 5-[3-(3-methylbutoxy)propyl]-1H-imidazole

5-[3-(3-methylbutoxy)propyl]-1H-imidazole (PubChem CID 10465285) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[3-(3-methylbutoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-methylbutoxy)propyl]-1H-imidazole
PubChem CID10465285
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[3-(3-methylbutoxy)propyl]-1H-imidazole
SMILESCC(C)CCOCCCc1cnc[nH]1
InChIInChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyZILNBNQXSUAOGP-UHFFFAOYSA-N
XLogP2.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.40
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 5-[3-(3-methylbutoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-methylbutoxy)propyl]-1H-imidazole (CID 10465285) is 5-[3-(3-methylbutoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-methylbutoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-methylbutoxy)propyl]-1H-imidazole is CC(C)CCOCCCc1cnc[nH]1.
What is the InChIKey of 5-[3-(3-methylbutoxy)propyl]-1H-imidazole?
The InChIKey is ZILNBNQXSUAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[3-(3-methylbutoxy)propyl]-1H-imidazole?
5-[3-(3-methylbutoxy)propyl]-1H-imidazole has a molecular weight of 196.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylbutoxy)propyl]-1H-imidazole is sourced from PubChem (CID 10465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).