1-(3-cyclohexyl-3-decoxypropyl)imidazole

C22H40N2O — CID 21397989

IUPAC1-(3-cyclohexyl-3-decoxypropyl)imidazole
SMILESCCCCCCCCCCOC(CCn1ccnc1)C1CCCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-12-19-25-22(21-13-10-9-11-14-21)15-17-24-18-16-23-20-24/h16,18,20-22H,2-15,17,19H2,1H3
InChIKeyDBWUPDDHWQSJAJ-UHFFFAOYSA-N
MW348.58 g/mol
LogP6.38
Rot. Bonds14

About 1-(3-cyclohexyl-3-decoxypropyl)imidazole

1-(3-cyclohexyl-3-decoxypropyl)imidazole (PubChem CID 21397989) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-(3-cyclohexyl-3-decoxypropyl)imidazole.

Molecular Properties

Compound Name1-(3-cyclohexyl-3-decoxypropyl)imidazole
PubChem CID21397989
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name1-(3-cyclohexyl-3-decoxypropyl)imidazole
SMILESCCCCCCCCCCOC(CCn1ccnc1)C1CCCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-12-19-25-22(21-13-10-9-11-14-21)15-17-24-18-16-23-20-24/h16,18,20-22H,2-15,17,19H2,1H3
InChIKeyDBWUPDDHWQSJAJ-UHFFFAOYSA-N
XLogP6.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-3-decoxypropyl)imidazole?
The IUPAC name of 1-(3-cyclohexyl-3-decoxypropyl)imidazole (CID 21397989) is 1-(3-cyclohexyl-3-decoxypropyl)imidazole.
What is the SMILES notation for 1-(3-cyclohexyl-3-decoxypropyl)imidazole?
The canonical SMILES for 1-(3-cyclohexyl-3-decoxypropyl)imidazole is CCCCCCCCCCOC(CCn1ccnc1)C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyl-3-decoxypropyl)imidazole?
The InChIKey is DBWUPDDHWQSJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-12-19-25-22(21-13-10-9-11-14-21)15-17-24-18-16-23-20-24/h16,18,20-22H,2-15,17,19H2,1H3.
What are the key properties of 1-(3-cyclohexyl-3-decoxypropyl)imidazole?
1-(3-cyclohexyl-3-decoxypropyl)imidazole has a molecular weight of 348.58 g/mol, XLogP of 6.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-3-decoxypropyl)imidazole is sourced from PubChem (CID 21397989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).