phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole

C20H43N2O4P — CID 175528314

IUPACphosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=C(C)N(C)C1C.O=P(O)(O)O
InChIInChI=1S/C20H40N2.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(2)21(4)20(22)3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4)
InChIKeyYTTYCMYSWBLNTL-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.21
Rot. Bonds13

About phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole

phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole (PubChem CID 175528314) has the molecular formula C20H43N2O4P and a molecular weight of 406.55 g/mol. Its IUPAC name is phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole.

Molecular Properties

Compound Namephosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole
PubChem CID175528314
Molecular FormulaC20H43N2O4P
Molecular Weight406.55 g/mol
Exact Mass406.30
IUPAC Namephosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=C(C)N(C)C1C.O=P(O)(O)O
InChIInChI=1S/C20H40N2.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(2)21(4)20(22)3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4)
InChIKeyYTTYCMYSWBLNTL-UHFFFAOYSA-N
XLogP5.21
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid
CID 175528326
1-butyl-2,3-dimethyl-2H-imidazol-4-ol
CID 175203047
dodecane;phosphoric acid
CID 88801558
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole?
The IUPAC name of phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole (CID 175528314) is phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole.
What is the SMILES notation for phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole?
The canonical SMILES for phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=C(C)N(C)C1C.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole?
The InChIKey is YTTYCMYSWBLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(2)21(4)20(22)3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole?
phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole has a molecular weight of 406.55 g/mol, XLogP of 5.21, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole is sourced from PubChem (CID 175528314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).