5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole

C19H35N3 — CID 11358657

IUPAC5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C19H35N3/c1(3-5-7-9-13-19-17-20-18-21-19)2-4-6-8-10-14-22-15-11-12-16-22/h17-18H,1-16H2,(H,20,21)
InChIKeyGIGMUWUHKTVYOI-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.95
Rot. Bonds13

About 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole

5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole (PubChem CID 11358657) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole.

Molecular Properties

Compound Name5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole
PubChem CID11358657
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C19H35N3/c1(3-5-7-9-13-19-17-20-18-21-19)2-4-6-8-10-14-22-15-11-12-16-22/h17-18H,1-16H2,(H,20,21)
InChIKeyGIGMUWUHKTVYOI-UHFFFAOYSA-N
XLogP4.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.95
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-(12-pyrrolidin-1-yldodecyl)-1H-imidazole?
The IUPAC name of 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole (CID 11358657) is 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole.
What is the SMILES notation for 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole?
The canonical SMILES for 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole is c1ncc(CCCCCCCCCCCCN2CCCC2)[nH]1.
What is the InChIKey of 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole?
The InChIKey is GIGMUWUHKTVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1(3-5-7-9-13-19-17-20-18-21-19)2-4-6-8-10-14-22-15-11-12-16-22/h17-18H,1-16H2,(H,20,21).
What are the key properties of 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole?
5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole has a molecular weight of 305.51 g/mol, XLogP of 4.95, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-pyrrolidin-1-yldodecyl)-1H-imidazole is sourced from PubChem (CID 11358657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).