3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium

C21H25N2+ — CID 140866251

IUPAC3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium
SMILESCC(C)c1cccc(C(C)C)c1-[n+]1cc[nH]c1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17/h5-16H,1-4H3/p+1
InChIKeyDGCQHTACQZUATF-UHFFFAOYSA-O
MW305.44 g/mol
LogP5.21
Rot. Bonds4

About 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium

3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium (PubChem CID 140866251) has the molecular formula C21H25N2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium
PubChem CID140866251
Molecular FormulaC21H25N2+
Molecular Weight305.44 g/mol
Exact Mass305.20
IUPAC Name3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium
SMILESCC(C)c1cccc(C(C)C)c1-[n+]1cc[nH]c1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17/h5-16H,1-4H3/p+1
InChIKeyDGCQHTACQZUATF-UHFFFAOYSA-O
XLogP5.21
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate
CID 23126920
3-[2,6-di(propan-2-yl)phenyl]-1H-benzimidazol-3-ium
CID 159972272
3-ethyl-2-phenyl-1H-imidazol-3-ium
CID 15865415
CID 139124493
CID 139124493
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
3-benzyl-2-phenyl-1H-imidazol-3-ium
CID 139534668
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-phenyl-3-propan-2-ylphenol
CID 54177325
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
CID 101405789
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
CID 56931140
CID 56931140
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,2,5-tetraphenylsilole
CID 11988816

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium (CID 140866251) is 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium is CC(C)c1cccc(C(C)C)c1-[n+]1cc[nH]c1-c1ccccc1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium?
The InChIKey is DGCQHTACQZUATF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2/c1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17/h5-16H,1-4H3/p+1.
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium?
3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium has a molecular weight of 305.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1H-imidazol-3-ium is sourced from PubChem (CID 140866251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).