acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole

C15H26N2O2 — CID 175561593

IUPACacetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole
SMILESC=CCN1C=CN(CC=C)C1CCCC.CC(=O)O
InChIInChI=1S/C13H22N2.C2H4O2/c1-4-7-8-13-14(9-5-2)11-12-15(13)10-6-3;1-2(3)4/h5-6,11-13H,2-4,7-10H2,1H3;1H3,(H,3,4)
InChIKeyPURSFTLAIOGRSQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.05
Rot. Bonds7

About acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole

acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole (PubChem CID 175561593) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole
PubChem CID175561593
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameacetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole
SMILESC=CCN1C=CN(CC=C)C1CCCC.CC(=O)O
InChIInChI=1S/C13H22N2.C2H4O2/c1-4-7-8-13-14(9-5-2)11-12-15(13)10-6-3;1-2(3)4/h5-6,11-13H,2-4,7-10H2,1H3;1H3,(H,3,4)
InChIKeyPURSFTLAIOGRSQ-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69391441
2-butyl-1-pentyl-3-propyl-2H-imidazole
CID 69393586
1,2-dibutyl-3-heptyl-2H-imidazole
CID 69386884
2-dodecyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69388444
1,2-didecyl-3-undecyl-2H-imidazole
CID 69395120
2-decyl-1-heptadecyl-3-hexyl-2H-imidazole
CID 69393805
1-nonadecyl-3-octadecyl-2-tridecyl-2H-imidazole
CID 69387726
1-nonyl-3-octadecyl-2-pentyl-2H-imidazole
CID 69386847
2-decyl-1-octadecyl-3-undecyl-2H-imidazole
CID 69389525
1-hexyl-2-octadecyl-3-pentadecyl-2H-imidazole
CID 69395428
1-decyl-2,3-dioctyl-2H-imidazole
CID 69393071
1-decyl-3-octyl-2-undecyl-2H-imidazole
CID 69390521

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole?
The IUPAC name of acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole (CID 175561593) is acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole.
What is the SMILES notation for acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole?
The canonical SMILES for acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole is C=CCN1C=CN(CC=C)C1CCCC.CC(=O)O.
What is the InChIKey of acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole?
The InChIKey is PURSFTLAIOGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H4O2/c1-4-7-8-13-14(9-5-2)11-12-15(13)10-6-3;1-2(3)4/h5-6,11-13H,2-4,7-10H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole?
acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole has a molecular weight of 266.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole is sourced from PubChem (CID 175561593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).