2-decyl-4,5-dihydro-1H-imidazole

C13H26N2 — CID 11499460

IUPAC2-decyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2-12H2,1H3,(H,14,15)
InChIKeyGKBBLQDRWVBCDG-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.52
Rot. Bonds9

About 2-decyl-4,5-dihydro-1H-imidazole

2-decyl-4,5-dihydro-1H-imidazole (PubChem CID 11499460) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-decyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-decyl-4,5-dihydro-1H-imidazole
PubChem CID11499460
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-decyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2-12H2,1H3,(H,14,15)
InChIKeyGKBBLQDRWVBCDG-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-decyl-4,5-dihydro-1H-imidazole (CID 11499460) is 2-decyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-decyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-decyl-4,5-dihydro-1H-imidazole is CCCCCCCCCCC1=NCCN1.
What is the InChIKey of 2-decyl-4,5-dihydro-1H-imidazole?
The InChIKey is GKBBLQDRWVBCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2-12H2,1H3,(H,14,15).
What are the key properties of 2-decyl-4,5-dihydro-1H-imidazole?
2-decyl-4,5-dihydro-1H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11499460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).