1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium

C15H26N4+2 — CID 148919358

IUPAC1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
SMILESCCCC[NH+]1C=CN=C1CC1=NC=C[NH+]1CCCC
InChIInChI=1S/C15H24N4/c1-3-5-9-18-11-7-16-14(18)13-15-17-8-12-19(15)10-6-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3/p+2
InChIKeyDHLIRODXKRYAGO-UHFFFAOYSA-P
MW262.40 g/mol
LogP0.51
Rot. Bonds8

About 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium

1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium (PubChem CID 148919358) has the molecular formula C15H26N4+2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
PubChem CID148919358
Molecular FormulaC15H26N4+2
Molecular Weight262.40 g/mol
Exact Mass262.21
IUPAC Name1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
SMILESCCCC[NH+]1C=CN=C1CC1=NC=C[NH+]1CCCC
InChIInChI=1S/C15H24N4/c1-3-5-9-18-11-7-16-14(18)13-15-17-8-12-19(15)10-6-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3/p+2
InChIKeyDHLIRODXKRYAGO-UHFFFAOYSA-P
XLogP0.51
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The IUPAC name of 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium (CID 148919358) is 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium.
What is the SMILES notation for 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The canonical SMILES for 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium is CCCC[NH+]1C=CN=C1CC1=NC=C[NH+]1CCCC.
What is the InChIKey of 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The InChIKey is DHLIRODXKRYAGO-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H24N4/c1-3-5-9-18-11-7-16-14(18)13-15-17-8-12-19(15)10-6-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3/p+2.
What are the key properties of 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium has a molecular weight of 262.40 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium is sourced from PubChem (CID 148919358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).