1-butoxyimidazole

C7H12N2O — CID 89011034

IUPAC1-butoxyimidazole
SMILESCCCCOn1ccnc1
InChIInChI=1S/C7H12N2O/c1-2-3-6-10-9-5-4-8-7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyQYRLMJYNMLGDLH-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.11
Rot. Bonds4

About 1-butoxyimidazole

1-butoxyimidazole (PubChem CID 89011034) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-butoxyimidazole.

Molecular Properties

Compound Name1-butoxyimidazole
PubChem CID89011034
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-butoxyimidazole
SMILESCCCCOn1ccnc1
InChIInChI=1S/C7H12N2O/c1-2-3-6-10-9-5-4-8-7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyQYRLMJYNMLGDLH-UHFFFAOYSA-N
XLogP1.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.11
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-(4-methylpentoxy)imidazole
CID 67927099
4-imidazol-1-yloxybutanoic acid
CID 175506459
5-imidazol-1-yloxypentanoic acid
CID 3613715
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491
imidazol-1-yloxymethanol
CID 155678354
imidazol-1-yl 2-butylhexanoate
CID 174655317
1-bromoimidazole;hexane
CID 175190317
imidazol-1-yl dodecane-1-sulfonate
CID 174858383
butyl imidazole-1-carboxylate
CID 12840941
imidazol-1-yl (Z)-octadec-9-enoate
CID 141294503

Frequently Asked Questions

What is the IUPAC name of 1-butoxyimidazole?
The IUPAC name of 1-butoxyimidazole (CID 89011034) is 1-butoxyimidazole.
What is the SMILES notation for 1-butoxyimidazole?
The canonical SMILES for 1-butoxyimidazole is CCCCOn1ccnc1.
What is the InChIKey of 1-butoxyimidazole?
The InChIKey is QYRLMJYNMLGDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-6-10-9-5-4-8-7-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-butoxyimidazole?
1-butoxyimidazole has a molecular weight of 140.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyimidazole is sourced from PubChem (CID 89011034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).