1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium

C20H25N2+ — CID 11850168

IUPAC1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(C)c(N2C=[N+]([C@H](C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H25N2/c1-15-12-16(2)20(17(3)13-15)22-11-10-21(14-22)18(4)19-8-6-5-7-9-19/h5-9,12-14,18H,10-11H2,1-4H3/q+1/t18-/m1/s1
InChIKeyJNYCKLNMBCQWOF-GOSISDBHSA-N
MW293.43 g/mol
LogP4.23
Rot. Bonds3

About 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium

1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium (PubChem CID 11850168) has the molecular formula C20H25N2+ and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
PubChem CID11850168
Molecular FormulaC20H25N2+
Molecular Weight293.43 g/mol
Exact Mass293.20
IUPAC Name1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(C)c(N2C=[N+]([C@H](C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H25N2/c1-15-12-16(2)20(17(3)13-15)22-11-10-21(14-22)18(4)19-8-6-5-7-9-19/h5-9,12-14,18H,10-11H2,1-4H3/q+1/t18-/m1/s1
InChIKeyJNYCKLNMBCQWOF-GOSISDBHSA-N
XLogP4.23
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.23
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

Amitraz
CID 36324
Methanimidamide, N,N'-bis(2,4-dimethylphenyl)-
CID 578703
3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
CID 99600
1,4-Bis(2,6-dimethylphenyl)piperazine
CID 1247098
6-Methyl-3-(p-tolyl)-3,4-dihydroquinazoline
CID 224464
1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride
CID 2734917
1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene
CID 10883669
5-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869695
Guanidine, (2-(N-methyl-2,6-xylidino)ethyl)-
CID 39455
10-(Isopropyliminomethyl)acridan
CID 3044165
1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
CID 2734213
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
CID 2734918

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium (CID 11850168) is 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium is Cc1cc(C)c(N2C=[N+]([C@H](C)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is JNYCKLNMBCQWOF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N2/c1-15-12-16(2)20(17(3)13-15)22-11-10-21(14-22)18(4)19-8-6-5-7-9-19/h5-9,12-14,18H,10-11H2,1-4H3/q+1/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 293.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 11850168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).