1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium

C21H25N2+ — CID 87815743

IUPAC1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium
SMILESCC(C)n1cc[n+](CC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H25N2/c1-18(2)23-14-13-22(17-23)16-21(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-14,17-18,21H,15-16H2,1-2H3/q+1
InChIKeyBFOASXWBJJQJDZ-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.38
Rot. Bonds6

About 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium

1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium (PubChem CID 87815743) has the molecular formula C21H25N2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium
PubChem CID87815743
Molecular FormulaC21H25N2+
Molecular Weight305.44 g/mol
Exact Mass305.20
IUPAC Name1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium
SMILESCC(C)n1cc[n+](CC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H25N2/c1-18(2)23-14-13-22(17-23)16-21(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-14,17-18,21H,15-16H2,1-2H3/q+1
InChIKeyBFOASXWBJJQJDZ-UHFFFAOYSA-N
XLogP4.38
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-diphenylpropyl)-3-tetradecylimidazol-1-ium
CID 87807176
1-(2-methylpropyl)-3-propan-2-ylimidazol-1-ium bromide
CID 126743980
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
N-[2-[1-hydroxy-2-(3-propan-2-ylimidazol-1-ium-1-yl)ethyl]phenyl]methanesulfonamide
CID 88716932
4-(1,3-diphenylpropan-2-yl)-1-methylpyridin-1-ium
CID 23252346
5,6-diphenylhexan-2-one
CID 134938963
1-[1-benzofuran-2-yl(phenyl)methyl]-3-benzylimidazol-3-ium
CID 71509307
1-(3-benzylimidazol-3-ium-1-yl)-N,N-diethylpropan-1-amine bromide
CID 87121392
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
2-methyl-3,4-diphenylbutanal
CID 155047824

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium?
The IUPAC name of 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium (CID 87815743) is 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium?
The canonical SMILES for 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium is CC(C)n1cc[n+](CC(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium?
The InChIKey is BFOASXWBJJQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2/c1-18(2)23-14-13-22(17-23)16-21(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-14,17-18,21H,15-16H2,1-2H3/q+1.
What are the key properties of 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium?
1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium has a molecular weight of 305.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-3-propan-2-ylimidazol-1-ium is sourced from PubChem (CID 87815743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).