phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)

C22H38N4O4 — CID 173024496

IUPACphthalic acid;bis(1,2,3,4-tetramethylimidazolidine)
SMILESCC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.2C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);2*6-7H,5H2,1-4H3
InChIKeyPBOROENWALOVKZ-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.28
Rot. Bonds2

About phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)

phthalic acid;bis(1,2,3,4-tetramethylimidazolidine) (PubChem CID 173024496) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is phthalic acid;bis(1,2,3,4-tetramethylimidazolidine).

Molecular Properties

Compound Namephthalic acid;bis(1,2,3,4-tetramethylimidazolidine)
PubChem CID173024496
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Namephthalic acid;bis(1,2,3,4-tetramethylimidazolidine)
SMILESCC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.2C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);2*6-7H,5H2,1-4H3
InChIKeyPBOROENWALOVKZ-UHFFFAOYSA-N
XLogP2.28
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
2-amino-5-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114539657
2-[(3S)-3-methylpiperazin-1-yl]benzoic acid
CID 45073200
CID 174469049
CID 174469049
phosphoric acid;phthalic acid
CID 175071379
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
2-(1-methylpiperidine-4-carbonyl)benzoic acid
CID 116836422
hydride;phthalic acid;rubidium(1+)
CID 173256629
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506

Frequently Asked Questions

What is the IUPAC name of phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)?
The IUPAC name of phthalic acid;bis(1,2,3,4-tetramethylimidazolidine) (CID 173024496) is phthalic acid;bis(1,2,3,4-tetramethylimidazolidine).
What is the SMILES notation for phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)?
The canonical SMILES for phthalic acid;bis(1,2,3,4-tetramethylimidazolidine) is CC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)?
The InChIKey is PBOROENWALOVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);2*6-7H,5H2,1-4H3.
What are the key properties of phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)?
phthalic acid;bis(1,2,3,4-tetramethylimidazolidine) has a molecular weight of 422.57 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phthalic acid;bis(1,2,3,4-tetramethylimidazolidine) is sourced from PubChem (CID 173024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).