1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol

C15H26N2O2 — CID 21423767

IUPAC1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COCCCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C15H26N2O2/c18-15(11-17-9-8-16-13-17)12-19-10-4-7-14-5-2-1-3-6-14/h8-9,13-15,18H,1-7,10-12H2
InChIKeyKDKLTKBMZFQWID-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.62
Rot. Bonds8

About 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol

1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 21423767) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID21423767
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COCCCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C15H26N2O2/c18-15(11-17-9-8-16-13-17)12-19-10-4-7-14-5-2-1-3-6-14/h8-9,13-15,18H,1-7,10-12H2
InChIKeyKDKLTKBMZFQWID-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol (CID 21423767) is 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol is OC(COCCCC1CCCCC1)Cn1ccnc1.
What is the InChIKey of 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is KDKLTKBMZFQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(11-17-9-8-16-13-17)12-19-10-4-7-14-5-2-1-3-6-14/h8-9,13-15,18H,1-7,10-12H2.
What are the key properties of 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol?
1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 21423767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).