1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium

C21H27N2+ — CID 2734214

IUPAC1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h9-13H,7-8H2,1-6H3/q+1
InChIKeyGONBKFIOUGPBTG-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.73
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium (PubChem CID 2734214) has the molecular formula C21H27N2+ and a molecular weight of 307.46 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
PubChem CID2734214
Molecular FormulaC21H27N2+
Molecular Weight307.46 g/mol
Exact Mass307.22
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h9-13H,7-8H2,1-6H3/q+1
InChIKeyGONBKFIOUGPBTG-UHFFFAOYSA-N
XLogP4.73
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.73
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
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)methanimidamide
CID 37402
1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride
CID 2734917
N1,N2-Dimesitylethane-1,2-diamine
CID 5461842
1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene
CID 10883669
N-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10354248
Guanidine, (2-(N-methyl-2,6-xylidino)ethyl)-
CID 39455
1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
CID 2734213

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium (CID 2734214) is 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium is Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is GONBKFIOUGPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h9-13H,7-8H2,1-6H3/q+1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium?
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 307.46 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 2734214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).