5-methyl-1-(4-propan-2-yloxybutyl)imidazole

C11H20N2O — CID 116798985

IUPAC5-methyl-1-(4-propan-2-yloxybutyl)imidazole
SMILESCc1cncn1CCCCOC(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)14-7-5-4-6-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3
InChIKeyDYQZHFSNTSSLLQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.40
Rot. Bonds6

About 5-methyl-1-(4-propan-2-yloxybutyl)imidazole

5-methyl-1-(4-propan-2-yloxybutyl)imidazole (PubChem CID 116798985) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-1-(4-propan-2-yloxybutyl)imidazole.

Molecular Properties

Compound Name5-methyl-1-(4-propan-2-yloxybutyl)imidazole
PubChem CID116798985
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-methyl-1-(4-propan-2-yloxybutyl)imidazole
SMILESCc1cncn1CCCCOC(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)14-7-5-4-6-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3
InChIKeyDYQZHFSNTSSLLQ-UHFFFAOYSA-N
XLogP2.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.40
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 5-methyl-1-(4-propan-2-yloxybutyl)imidazole?
The IUPAC name of 5-methyl-1-(4-propan-2-yloxybutyl)imidazole (CID 116798985) is 5-methyl-1-(4-propan-2-yloxybutyl)imidazole.
What is the SMILES notation for 5-methyl-1-(4-propan-2-yloxybutyl)imidazole?
The canonical SMILES for 5-methyl-1-(4-propan-2-yloxybutyl)imidazole is Cc1cncn1CCCCOC(C)C.
What is the InChIKey of 5-methyl-1-(4-propan-2-yloxybutyl)imidazole?
The InChIKey is DYQZHFSNTSSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)14-7-5-4-6-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-(4-propan-2-yloxybutyl)imidazole?
5-methyl-1-(4-propan-2-yloxybutyl)imidazole has a molecular weight of 196.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-propan-2-yloxybutyl)imidazole is sourced from PubChem (CID 116798985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).