5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole

C10H18N2O — CID 11148097

IUPAC5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole
SMILESCC(C)(C)OCCCc1cnc[nH]1
InChIInChI=1S/C10H18N2O/c1-10(2,3)13-6-4-5-9-7-11-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyCWIVPUPFEKBPKL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.16
Rot. Bonds4

About 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole

5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole (PubChem CID 11148097) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole
PubChem CID11148097
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole
SMILESCC(C)(C)OCCCc1cnc[nH]1
InChIInChI=1S/C10H18N2O/c1-10(2,3)13-6-4-5-9-7-11-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyCWIVPUPFEKBPKL-UHFFFAOYSA-N
XLogP2.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.16
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-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole (CID 11148097) is 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole is CC(C)(C)OCCCc1cnc[nH]1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole?
The InChIKey is CWIVPUPFEKBPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)13-6-4-5-9-7-11-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole?
5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole is sourced from PubChem (CID 11148097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).