1-(4-methylpentoxy)imidazole

C9H16N2O — CID 67927099

IUPAC1-(4-methylpentoxy)imidazole
SMILESCC(C)CCCOn1ccnc1
InChIInChI=1S/C9H16N2O/c1-9(2)4-3-7-12-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyXRDUEPMGRLPSHQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-methylpentoxy)imidazole

1-(4-methylpentoxy)imidazole (PubChem CID 67927099) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-methylpentoxy)imidazole.

Molecular Properties

Compound Name1-(4-methylpentoxy)imidazole
PubChem CID67927099
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(4-methylpentoxy)imidazole
SMILESCC(C)CCCOn1ccnc1
InChIInChI=1S/C9H16N2O/c1-9(2)4-3-7-12-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyXRDUEPMGRLPSHQ-UHFFFAOYSA-N
XLogP1.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.75
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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Related Compounds

1-butoxyimidazole
CID 89011034
4-imidazol-1-yloxybutanoic acid
CID 175506459
bis(4-tert-butylthiophen-2-yl)-(5,5,5-trifluoropent-3-enyl)borane;1-(4-methylpentoxy)imidazole
CID 67927108
5-imidazol-1-yloxypentanoic acid
CID 3613715
imidazol-1-yloxymethanol
CID 155678354
1-(7-methyloctyl)imidazole
CID 59001100
1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
imidazol-1-yl 2-butylhexanoate
CID 174655317
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
3-methylbutyl imidazole-1-carboximidate
CID 12031764
1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-(4-methylpentoxy)piperidine
CID 59747996

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)imidazole?
The IUPAC name of 1-(4-methylpentoxy)imidazole (CID 67927099) is 1-(4-methylpentoxy)imidazole.
What is the SMILES notation for 1-(4-methylpentoxy)imidazole?
The canonical SMILES for 1-(4-methylpentoxy)imidazole is CC(C)CCCOn1ccnc1.
What is the InChIKey of 1-(4-methylpentoxy)imidazole?
The InChIKey is XRDUEPMGRLPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2)4-3-7-12-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)imidazole?
1-(4-methylpentoxy)imidazole has a molecular weight of 168.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)imidazole is sourced from PubChem (CID 67927099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).