1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole

C16H28N2O — CID 21397910

IUPAC1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole
SMILESCC(Cn1ccnc1)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-13(11-18-10-9-17-12-18)19-15-7-5-14(6-8-15)16(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3
InChIKeyFCAGQDIBYVOJJU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole

1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole (PubChem CID 21397910) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole
PubChem CID21397910
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole
SMILESCC(Cn1ccnc1)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-13(11-18-10-9-17-12-18)19-15-7-5-14(6-8-15)16(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3
InChIKeyFCAGQDIBYVOJJU-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole (CID 21397910) is 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole is CC(Cn1ccnc1)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole?
The InChIKey is FCAGQDIBYVOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(11-18-10-9-17-12-18)19-15-7-5-14(6-8-15)16(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole?
1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole has a molecular weight of 264.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)oxypropyl]imidazole is sourced from PubChem (CID 21397910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).