10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane

C25H36N3O2+ — CID 160620489

IUPAC10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane
SMILESCC1(C)c2ccccc2[N+](=C2N(O)C(C)(C)C(C)(C)N2O)c2ccccc21.CCC
InChIInChI=1S/C22H28N3O2.C3H8/c1-20(2)15-11-7-9-13-17(15)23(18-14-10-8-12-16(18)20)19-24(26)21(3,4)22(5,6)25(19)27;1-3-2/h7-14,26-27H,1-6H3;3H2,1-2H3/q+1;
InChIKeyBOYUEMLXQVJTMP-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.89
Rot. Bonds

About 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane

10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane (PubChem CID 160620489) has the molecular formula C25H36N3O2+ and a molecular weight of 410.58 g/mol. Its IUPAC name is 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane.

Molecular Properties

Compound Name10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane
PubChem CID160620489
Molecular FormulaC25H36N3O2+
Molecular Weight410.58 g/mol
Exact Mass410.28
IUPAC Name10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane
SMILESCC1(C)c2ccccc2[N+](=C2N(O)C(C)(C)C(C)(C)N2O)c2ccccc21.CCC
InChIInChI=1S/C22H28N3O2.C3H8/c1-20(2)15-11-7-9-13-17(15)23(18-14-10-8-12-16(18)20)19-24(26)21(3,4)22(5,6)25(19)27;1-3-2/h7-14,26-27H,1-6H3;3H2,1-2H3/q+1;
InChIKeyBOYUEMLXQVJTMP-UHFFFAOYSA-N
XLogP5.89
TPSA49.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane with MolForge

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Related Compounds

2-ethyl-1,3,3-trimethylindol-1-ium perchlorate
CID 10613301
1,3,3-trimethyl-2-[(E)-3-methylpent-2-en-2-yl]indol-1-ium
CID 130327251
2,3,3-trimethyl-1-propan-2-ylindol-1-ium
CID 1390106
9-ethyl-9,10,10-trimethylanthracene
CID 91063128
1,3,3-trimethylindol-1-ium-2-amine
CID 11346035
1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
1-butyl-2,3,3-trimethylindol-1-ium bromide
CID 71698932
1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole perchlorate
CID 73437227
2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenol
CID 6012065
2,3,3-trimethyl-1-propylsulfonylindol-1-ium
CID 69118167
2-[4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]phenyl]acetic acid
CID 87274748
(2E)-1-butyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]benzo[cd]indole
CID 177415230

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane?
The IUPAC name of 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane (CID 160620489) is 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane.
What is the SMILES notation for 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane?
The canonical SMILES for 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane is CC1(C)c2ccccc2[N+](=C2N(O)C(C)(C)C(C)(C)N2O)c2ccccc21.CCC.
What is the InChIKey of 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane?
The InChIKey is BOYUEMLXQVJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N3O2.C3H8/c1-20(2)15-11-7-9-13-17(15)23(18-14-10-8-12-16(18)20)19-24(26)21(3,4)22(5,6)25(19)27;1-3-2/h7-14,26-27H,1-6H3;3H2,1-2H3/q+1;.
What are the key properties of 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane?
10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane has a molecular weight of 410.58 g/mol, XLogP of 5.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-9,9-dimethylacridin-10-ium;propane is sourced from PubChem (CID 160620489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).