2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium

C23H20FN2+ — CID 102583025

IUPAC2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)[n+](C)c1-c1cccc(F)c1
InChIInChI=1S/C23H20FN2/c1-25-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)26(2)23(25)19-14-9-15-20(24)16-19/h3-16H,1-2H3/q+1
InChIKeyDROBZVKDXPRUSQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.99
Rot. Bonds3

About 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium

2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium (PubChem CID 102583025) has the molecular formula C23H20FN2+ and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium
PubChem CID102583025
Molecular FormulaC23H20FN2+
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)[n+](C)c1-c1cccc(F)c1
InChIInChI=1S/C23H20FN2/c1-25-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)26(2)23(25)19-14-9-15-20(24)16-19/h3-16H,1-2H3/q+1
InChIKeyDROBZVKDXPRUSQ-UHFFFAOYSA-N
XLogP4.99
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.99
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

2-(2,6-diphenylphenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium;1-phenylimidazole;iodide
CID 159346788
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-(2,6-dimethylphenyl)-2-(3-fluorophenyl)-3-methylbenzimidazol-3-ium
CID 170660590
3-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059
1,3-dimethyl-2-(3-methylphenyl)benzimidazol-3-ium
CID 102032328
2,4-bis(3-fluorophenyl)-1-phenylpyrrole
CID 177457311
3-[4-[4-[2-[4-[1,3-dimethyl-4-(4-methylphenyl)-5-phenylimidazol-3-ium-2-yl]-2,3,5,6-tetramethylphenyl]-1,3-dimethyl-5-phenylimidazol-1-ium-4-yl]phenyl]phenyl]-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane
CID 176846940
(3-methyl-4,5-diphenylimidazol-1-ium-1-yl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 177431270
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole
CID 71440732

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium?
The IUPAC name of 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium (CID 102583025) is 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium?
The canonical SMILES for 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium is Cn1c(-c2ccccc2)c(-c2ccccc2)[n+](C)c1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium?
The InChIKey is DROBZVKDXPRUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN2/c1-25-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)26(2)23(25)19-14-9-15-20(24)16-19/h3-16H,1-2H3/q+1.
What are the key properties of 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium?
2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium has a molecular weight of 343.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium is sourced from PubChem (CID 102583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).