1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium

C23H29N2+ — CID 149275149

IUPAC1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
SMILESCCCc1cccc(CCC)c1-n1cc[n+](C)c1-c1ccccc1C
InChIInChI=1S/C23H29N2/c1-5-10-19-13-9-14-20(11-6-2)22(19)25-17-16-24(4)23(25)21-15-8-7-12-18(21)3/h7-9,12-17H,5-6,10-11H2,1-4H3/q+1
InChIKeyCELRZQYDIWEGCG-UHFFFAOYSA-N
MW333.50 g/mol
LogP5.18
Rot. Bonds6

About 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium

1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium (PubChem CID 149275149) has the molecular formula C23H29N2+ and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium.

Molecular Properties

Compound Name1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
PubChem CID149275149
Molecular FormulaC23H29N2+
Molecular Weight333.50 g/mol
Exact Mass333.23
IUPAC Name1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
SMILESCCCc1cccc(CCC)c1-n1cc[n+](C)c1-c1ccccc1C
InChIInChI=1S/C23H29N2/c1-5-10-19-13-9-14-20(11-6-2)22(19)25-17-16-24(4)23(25)21-15-8-7-12-18(21)3/h7-9,12-17H,5-6,10-11H2,1-4H3/q+1
InChIKeyCELRZQYDIWEGCG-UHFFFAOYSA-N
XLogP5.18
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.18
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-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 58240311
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 123883372
1-(2,6-diethylphenyl)-3-methyl-2-(2-propan-2-ylphenyl)imidazol-3-ium
CID 144605200
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
CID 158292360
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
6-butyl-15-[2-[2-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]phenyl]ethyl]-14,14-diethyl-3-thia-16-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaene
CID 123289270
1-methyl-3-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-3-[4-methyl-2-(trideuteriomethyl)phenyl]phenyl]imidazol-1-ium
CID 149345562
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
2-(2-methylphenyl)-1,3,5-tripropylbenzene
CID 90909135
2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
CID 139394307
[2-butyl-6-(2-methylphenyl)phenyl]phosphane
CID 154051164
1,2-dimethyl-3-[(2-methylphenyl)methyl]imidazol-1-ium
CID 785054

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium?
The IUPAC name of 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium (CID 149275149) is 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium.
What is the SMILES notation for 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium?
The canonical SMILES for 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium is CCCc1cccc(CCC)c1-n1cc[n+](C)c1-c1ccccc1C.
What is the InChIKey of 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium?
The InChIKey is CELRZQYDIWEGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N2/c1-5-10-19-13-9-14-20(11-6-2)22(19)25-17-16-24(4)23(25)21-15-8-7-12-18(21)3/h7-9,12-17H,5-6,10-11H2,1-4H3/q+1.
What are the key properties of 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium?
1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium has a molecular weight of 333.50 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium is sourced from PubChem (CID 149275149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).