5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole

C11H19N3 — CID 11564628

IUPAC5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole
SMILESc1ncc(CCCCN2CCCC2)[nH]1
InChIInChI=1S/C11H19N3/c1(5-11-9-12-10-13-11)2-6-14-7-3-4-8-14/h9-10H,1-8H2,(H,12,13)
InChIKeyMFUXHAFVFJVNEU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.83
Rot. Bonds5

About 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole

5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole (PubChem CID 11564628) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole
PubChem CID11564628
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole
SMILESc1ncc(CCCCN2CCCC2)[nH]1
InChIInChI=1S/C11H19N3/c1(5-11-9-12-10-13-11)2-6-14-7-3-4-8-14/h9-10H,1-8H2,(H,12,13)
InChIKeyMFUXHAFVFJVNEU-UHFFFAOYSA-N
XLogP1.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.83
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 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole?
The IUPAC name of 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole (CID 11564628) is 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole.
What is the SMILES notation for 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole?
The canonical SMILES for 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole is c1ncc(CCCCN2CCCC2)[nH]1.
What is the InChIKey of 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole?
The InChIKey is MFUXHAFVFJVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1(5-11-9-12-10-13-11)2-6-14-7-3-4-8-14/h9-10H,1-8H2,(H,12,13).
What are the key properties of 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole?
5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrrolidin-1-ylbutyl)-1H-imidazole is sourced from PubChem (CID 11564628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).