1-pentyl-3-prop-2-enyl-2H-imidazole

C11H20N2 — CID 23154606

IUPAC1-pentyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CCCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-6-8-13-10-9-12(11-13)7-4-2/h4,9-10H,2-3,5-8,11H2,1H3
InChIKeyMLJIUALDTZSZRT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds6

About 1-pentyl-3-prop-2-enyl-2H-imidazole

1-pentyl-3-prop-2-enyl-2H-imidazole (PubChem CID 23154606) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-pentyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Name1-pentyl-3-prop-2-enyl-2H-imidazole
PubChem CID23154606
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-pentyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CCCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-6-8-13-10-9-12(11-13)7-4-2/h4,9-10H,2-3,5-8,11H2,1H3
InChIKeyMLJIUALDTZSZRT-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
CID 173111020
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
CID 174521316
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-prop-2-enyl-2H-imidazole?
The IUPAC name of 1-pentyl-3-prop-2-enyl-2H-imidazole (CID 23154606) is 1-pentyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for 1-pentyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for 1-pentyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(CCCCC)C1.
What is the InChIKey of 1-pentyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is MLJIUALDTZSZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-8-13-10-9-12(11-13)7-4-2/h4,9-10H,2-3,5-8,11H2,1H3.
What are the key properties of 1-pentyl-3-prop-2-enyl-2H-imidazole?
1-pentyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 23154606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).