1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole

C17H30N2O — CID 21397890

IUPAC1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole
SMILESCC(CCCCCn1ccnc1)OC1CCCCC1C
InChIInChI=1S/C17H30N2O/c1-15-8-5-6-10-17(15)20-16(2)9-4-3-7-12-19-13-11-18-14-19/h11,13-17H,3-10,12H2,1-2H3
InChIKeyVEKOUBHULFXRFG-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.43
Rot. Bonds8

About 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole

1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole (PubChem CID 21397890) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole.

Molecular Properties

Compound Name1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole
PubChem CID21397890
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole
SMILESCC(CCCCCn1ccnc1)OC1CCCCC1C
InChIInChI=1S/C17H30N2O/c1-15-8-5-6-10-17(15)20-16(2)9-4-3-7-12-19-13-11-18-14-19/h11,13-17H,3-10,12H2,1-2H3
InChIKeyVEKOUBHULFXRFG-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.43
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-[6-(2-methylcyclohexyl)oxyheptyl]imidazole?
The IUPAC name of 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole (CID 21397890) is 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole.
What is the SMILES notation for 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole?
The canonical SMILES for 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole is CC(CCCCCn1ccnc1)OC1CCCCC1C.
What is the InChIKey of 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole?
The InChIKey is VEKOUBHULFXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15-8-5-6-10-17(15)20-16(2)9-4-3-7-12-19-13-11-18-14-19/h11,13-17H,3-10,12H2,1-2H3.
What are the key properties of 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole?
1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole has a molecular weight of 278.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylcyclohexyl)oxyheptyl]imidazole is sourced from PubChem (CID 21397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).