2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole

C15H30N2 — CID 69388379

IUPAC2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCN1C=CN(C(C)C)C1CCCC
InChIInChI=1S/C15H30N2/c1-5-7-9-11-16-12-13-17(14(3)4)15(16)10-8-6-2/h12-15H,5-11H2,1-4H3
InChIKeyXRUYYRYHGXGZAO-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.19
Rot. Bonds8

About 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole

2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole (PubChem CID 69388379) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole
PubChem CID69388379
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCN1C=CN(C(C)C)C1CCCC
InChIInChI=1S/C15H30N2/c1-5-7-9-11-16-12-13-17(14(3)4)15(16)10-8-6-2/h12-15H,5-11H2,1-4H3
InChIKeyXRUYYRYHGXGZAO-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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'}

Analyze 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole (CID 69388379) is 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole is CCCCCN1C=CN(C(C)C)C1CCCC.
What is the InChIKey of 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The InChIKey is XRUYYRYHGXGZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-7-9-11-16-12-13-17(14(3)4)15(16)10-8-6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole?
2-butyl-1-pentyl-3-propan-2-yl-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 4.19, 8 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-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).