1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride

C24H33ClN2 — CID 11617932

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride
SMILESCc1cc(C)c([N+]2=CN(c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1.[Cl-]
InChIInChI=1S/C24H33N2.ClH/c1-16(2)21-9-8-10-22(17(3)4)24(21)26-12-11-25(15-26)23-19(6)13-18(5)14-20(23)7;/h8-10,13-17H,11-12H2,1-7H3;1H/q+1;/p-1
InChIKeyRHFFYNDQCMNENO-UHFFFAOYSA-M
MW385.00 g/mol
LogP3.06
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride

1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride (PubChem CID 11617932) has the molecular formula C24H33ClN2 and a molecular weight of 385.00 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride
PubChem CID11617932
Molecular FormulaC24H33ClN2
Molecular Weight385.00 g/mol
Exact Mass384.23
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride
SMILESCc1cc(C)c([N+]2=CN(c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1.[Cl-]
InChIInChI=1S/C24H33N2.ClH/c1-16(2)21-9-8-10-22(17(3)4)24(21)26-12-11-25(15-26)23-19(6)13-18(5)14-20(23)7;/h8-10,13-17H,11-12H2,1-7H3;1H/q+1;/p-1
InChIKeyRHFFYNDQCMNENO-UHFFFAOYSA-M
XLogP3.06
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride (CID 11617932) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride is Cc1cc(C)c([N+]2=CN(c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1.[Cl-].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride?
The InChIKey is RHFFYNDQCMNENO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H33N2.ClH/c1-16(2)21-9-8-10-22(17(3)4)24(21)26-12-11-25(15-26)23-19(6)13-18(5)14-20(23)7;/h8-10,13-17H,11-12H2,1-7H3;1H/q+1;/p-1.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride?
1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride has a molecular weight of 385.00 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride is sourced from PubChem (CID 11617932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).