2-butyl-1-pentyl-3-propyl-2H-imidazole

C15H30N2 — CID 69393586

IUPAC2-butyl-1-pentyl-3-propyl-2H-imidazole
SMILESCCCCCN1C=CN(CCC)C1CCCC
InChIInChI=1S/C15H30N2/c1-4-7-9-12-17-14-13-16(11-6-3)15(17)10-8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyJRJCZDPCQNYQGQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.19
Rot. Bonds9

About 2-butyl-1-pentyl-3-propyl-2H-imidazole

2-butyl-1-pentyl-3-propyl-2H-imidazole (PubChem CID 69393586) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-butyl-1-pentyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1-pentyl-3-propyl-2H-imidazole
PubChem CID69393586
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-butyl-1-pentyl-3-propyl-2H-imidazole
SMILESCCCCCN1C=CN(CCC)C1CCCC
InChIInChI=1S/C15H30N2/c1-4-7-9-12-17-14-13-16(11-6-3)15(17)10-8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyJRJCZDPCQNYQGQ-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082
1-nonyl-2-pentyl-3-propyl-2H-imidazole
CID 69394214
1-hexadecyl-2-octyl-3-propyl-2H-imidazole
CID 21393904
2-decyl-1-octyl-3-propyl-2H-imidazole
CID 69391911
1-decyl-2-hexyl-3-propyl-2H-imidazole
CID 69387913
2-butyl-1,3-di(heptadecyl)-2H-imidazole
CID 69390303

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-pentyl-3-propyl-2H-imidazole?
The IUPAC name of 2-butyl-1-pentyl-3-propyl-2H-imidazole (CID 69393586) is 2-butyl-1-pentyl-3-propyl-2H-imidazole.
What is the SMILES notation for 2-butyl-1-pentyl-3-propyl-2H-imidazole?
The canonical SMILES for 2-butyl-1-pentyl-3-propyl-2H-imidazole is CCCCCN1C=CN(CCC)C1CCCC.
What is the InChIKey of 2-butyl-1-pentyl-3-propyl-2H-imidazole?
The InChIKey is JRJCZDPCQNYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-9-12-17-14-13-16(11-6-3)15(17)10-8-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-butyl-1-pentyl-3-propyl-2H-imidazole?
2-butyl-1-pentyl-3-propyl-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-pentyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69393586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).