3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium

C19H21N2+ — CID 50922990

IUPAC3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium
SMILESCC(C)[n+]1cc(-c2ccccc2)n(C)c1-c1ccccc1
InChIInChI=1S/C19H21N2/c1-15(2)21-14-18(16-10-6-4-7-11-16)20(3)19(21)17-12-8-5-9-13-17/h4-15H,1-3H3/q+1
InChIKeyQQQOSSHUTDQOET-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.23
Rot. Bonds3

About 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium

3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium (PubChem CID 50922990) has the molecular formula C19H21N2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium.

Molecular Properties

Compound Name3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium
PubChem CID50922990
Molecular FormulaC19H21N2+
Molecular Weight277.39 g/mol
Exact Mass277.17
IUPAC Name3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium
SMILESCC(C)[n+]1cc(-c2ccccc2)n(C)c1-c1ccccc1
InChIInChI=1S/C19H21N2/c1-15(2)21-14-18(16-10-6-4-7-11-16)20(3)19(21)17-12-8-5-9-13-17/h4-15H,1-3H3/q+1
InChIKeyQQQOSSHUTDQOET-UHFFFAOYSA-N
XLogP4.23
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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

1-methyl-5-phenyl-2-propan-2-ylimidazole
CID 83381613
2,4-diphenyl-1-propan-2-yltriazol-1-ium
CID 14041634
2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium
CID 15062103
1-(1-methyl-5-phenylimidazol-2-yl)propan-2-amine
CID 83849134
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-3-methyl-2-phenylimidazol-3-ium
CID 164740248
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
benzene;1-methyl-2-phenylindole
CID 158316839
benzene;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-diphenylimidazol-1-ium);boric acid;diformate
CID 139052651
1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium
CID 89400582
3-methyl-4-phenyl-1,3-thiazol-2-one
CID 12743054
1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
CID 155616035
(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium?
The IUPAC name of 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium (CID 50922990) is 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium.
What is the SMILES notation for 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium?
The canonical SMILES for 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium is CC(C)[n+]1cc(-c2ccccc2)n(C)c1-c1ccccc1.
What is the InChIKey of 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium?
The InChIKey is QQQOSSHUTDQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2/c1-15(2)21-14-18(16-10-6-4-7-11-16)20(3)19(21)17-12-8-5-9-13-17/h4-15H,1-3H3/q+1.
What are the key properties of 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium?
3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium has a molecular weight of 277.39 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 3-methyl-2,4-diphenyl-1-propan-2-ylimidazol-1-ium is sourced from PubChem (CID 50922990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).