1,3-dibutyl-2H-imidazol-1-ium-2-ide

C11H20N2 — CID 11657120

IUPAC1,3-dibutyl-2H-imidazol-1-ium-2-ide
SMILESCCCCn1[c-][n+](CCCC)cc1
InChIInChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeySVEHMBHIVDNAIW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.18
Rot. Bonds6

About 1,3-dibutyl-2H-imidazol-1-ium-2-ide

1,3-dibutyl-2H-imidazol-1-ium-2-ide (PubChem CID 11657120) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,3-dibutyl-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name1,3-dibutyl-2H-imidazol-1-ium-2-ide
PubChem CID11657120
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,3-dibutyl-2H-imidazol-1-ium-2-ide
SMILESCCCCn1[c-][n+](CCCC)cc1
InChIInChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeySVEHMBHIVDNAIW-UHFFFAOYSA-N
XLogP2.18
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[3-(3-ethyl-2H-imidazol-1-ium-2-id-1-yl)propyl]-2H-imidazol-3-ium-2-ide
CID 139143182
disilver;bis(1-ethyl-3-[5-(3-ethyl-2H-imidazol-3-ium-2-id-1-yl)pentyl]-2H-imidazol-1-ium-2-ide);dihexafluorophosphate
CID 139197470
1-butyl-3-[4-[2,3,4-tris[4-(3-butyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]cyclobutyl]phenyl]-2H-imidazol-1-ium-2-ide
CID 139122218
1-butyl-3-[3-(3-butylpyrrol-1-yl)phenyl]-2H-imidazol-1-ium-2-ide
CID 140798737
1,2,3-tributylimidazol-1-ium
CID 87809363
1-butyl-3-propylimidazol-3-ium bromide
CID 16720567
1,3-dibutyltriazol-1-ium hexafluorophosphate
CID 46844372
1-butyl-4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
CID 71360059
1-butyl-3-nonadecylimidazol-3-ium
CID 87809769
1,3-dibutyl-2-octylimidazol-1-ium
CID 87810992
1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
CID 11215194

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2H-imidazol-1-ium-2-ide?
The IUPAC name of 1,3-dibutyl-2H-imidazol-1-ium-2-ide (CID 11657120) is 1,3-dibutyl-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 1,3-dibutyl-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 1,3-dibutyl-2H-imidazol-1-ium-2-ide is CCCCn1[c-][n+](CCCC)cc1.
What is the InChIKey of 1,3-dibutyl-2H-imidazol-1-ium-2-ide?
The InChIKey is SVEHMBHIVDNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-dibutyl-2H-imidazol-1-ium-2-ide?
1,3-dibutyl-2H-imidazol-1-ium-2-ide has a molecular weight of 180.29 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 11657120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).