2-butyl-1-(3-propan-2-yloxypropyl)imidazole

C13H24N2O — CID 57089790

IUPAC2-butyl-1-(3-propan-2-yloxypropyl)imidazole
SMILESCCCCc1nccn1CCCOC(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-7-13-14-8-10-15(13)9-6-11-16-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyYEYLTHIZDIMXRU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.04
Rot. Bonds8

About 2-butyl-1-(3-propan-2-yloxypropyl)imidazole

2-butyl-1-(3-propan-2-yloxypropyl)imidazole (PubChem CID 57089790) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-butyl-1-(3-propan-2-yloxypropyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(3-propan-2-yloxypropyl)imidazole
PubChem CID57089790
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-butyl-1-(3-propan-2-yloxypropyl)imidazole
SMILESCCCCc1nccn1CCCOC(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-7-13-14-8-10-15(13)9-6-11-16-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyYEYLTHIZDIMXRU-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.04
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

2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
1,2-di(pentadecyl)imidazole
CID 69388452
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
(2-butylimidazol-1-yl)methanol
CID 22012500
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
CID 174536207
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(3-propan-2-yloxypropyl)imidazole?
The IUPAC name of 2-butyl-1-(3-propan-2-yloxypropyl)imidazole (CID 57089790) is 2-butyl-1-(3-propan-2-yloxypropyl)imidazole.
What is the SMILES notation for 2-butyl-1-(3-propan-2-yloxypropyl)imidazole?
The canonical SMILES for 2-butyl-1-(3-propan-2-yloxypropyl)imidazole is CCCCc1nccn1CCCOC(C)C.
What is the InChIKey of 2-butyl-1-(3-propan-2-yloxypropyl)imidazole?
The InChIKey is YEYLTHIZDIMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-7-13-14-8-10-15(13)9-6-11-16-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3.
What are the key properties of 2-butyl-1-(3-propan-2-yloxypropyl)imidazole?
2-butyl-1-(3-propan-2-yloxypropyl)imidazole has a molecular weight of 224.35 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(3-propan-2-yloxypropyl)imidazole is sourced from PubChem (CID 57089790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).