5-(8-pyrrolidin-1-yloctyl)-1H-imidazole

C15H27N3 — CID 11230427

IUPAC5-(8-pyrrolidin-1-yloctyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1(3-5-9-15-13-16-14-17-15)2-4-6-10-18-11-7-8-12-18/h13-14H,1-12H2,(H,16,17)
InChIKeyUYZUQDLFLZXDNQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.39
Rot. Bonds9

About 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole

5-(8-pyrrolidin-1-yloctyl)-1H-imidazole (PubChem CID 11230427) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole.

Molecular Properties

Compound Name5-(8-pyrrolidin-1-yloctyl)-1H-imidazole
PubChem CID11230427
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(8-pyrrolidin-1-yloctyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1(3-5-9-15-13-16-14-17-15)2-4-6-10-18-11-7-8-12-18/h13-14H,1-12H2,(H,16,17)
InChIKeyUYZUQDLFLZXDNQ-UHFFFAOYSA-N
XLogP3.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.39
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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Related Compounds

Burimamide
CID 3032915
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-4-pentanamine
CID 9793868
4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
CID 9794398
2-((1S,2S)-2-(1H-Imidazol-4-yl)cyclopropyl)ethanamine
CID 10154137
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
CID 10219888
rac-1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
CID 11094685
Methimepip
CID 11313837
2-((1R,2R)-2-(1H-Imidazol-5-yl)cyclopropyl)ethanamine
CID 11829635
4-(1H-imidazol-4-yl)butanamine
CID 13499360

Frequently Asked Questions

What is the IUPAC name of 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole?
The IUPAC name of 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole (CID 11230427) is 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole.
What is the SMILES notation for 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole?
The canonical SMILES for 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole is c1ncc(CCCCCCCCN2CCCC2)[nH]1.
What is the InChIKey of 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole?
The InChIKey is UYZUQDLFLZXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1(3-5-9-15-13-16-14-17-15)2-4-6-10-18-11-7-8-12-18/h13-14H,1-12H2,(H,16,17).
What are the key properties of 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole?
5-(8-pyrrolidin-1-yloctyl)-1H-imidazole has a molecular weight of 249.40 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-pyrrolidin-1-yloctyl)-1H-imidazole is sourced from PubChem (CID 11230427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).