2-cyclohexyl-1-(3-methoxypropyl)imidazole

C13H22N2O — CID 66791685

IUPAC2-cyclohexyl-1-(3-methoxypropyl)imidazole
SMILESCOCCCn1ccnc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-16-11-5-9-15-10-8-14-13(15)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3
InChIKeyFYWLVOJPDRHRIZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.97
Rot. Bonds5

About 2-cyclohexyl-1-(3-methoxypropyl)imidazole

2-cyclohexyl-1-(3-methoxypropyl)imidazole (PubChem CID 66791685) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methoxypropyl)imidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methoxypropyl)imidazole
PubChem CID66791685
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyclohexyl-1-(3-methoxypropyl)imidazole
SMILESCOCCCn1ccnc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-16-11-5-9-15-10-8-14-13(15)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3
InChIKeyFYWLVOJPDRHRIZ-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.97
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 2-cyclohexyl-1-(3-methoxypropyl)imidazole?
The IUPAC name of 2-cyclohexyl-1-(3-methoxypropyl)imidazole (CID 66791685) is 2-cyclohexyl-1-(3-methoxypropyl)imidazole.
What is the SMILES notation for 2-cyclohexyl-1-(3-methoxypropyl)imidazole?
The canonical SMILES for 2-cyclohexyl-1-(3-methoxypropyl)imidazole is COCCCn1ccnc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-methoxypropyl)imidazole?
The InChIKey is FYWLVOJPDRHRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-16-11-5-9-15-10-8-14-13(15)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methoxypropyl)imidazole?
2-cyclohexyl-1-(3-methoxypropyl)imidazole has a molecular weight of 222.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-methoxypropyl)imidazole is sourced from PubChem (CID 66791685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).