1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid

C20H43N2O4P — CID 175528326

IUPAC1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid
SMILESCCCCCCCCCCCCN1C=C(CC)N(C)C1CC.O=P(O)(O)O
InChIInChI=1S/C20H40N2.H3O4P/c1-5-8-9-10-11-12-13-14-15-16-17-22-18-19(6-2)21(4)20(22)7-3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4)
InChIKeyFLRKCNAKZREAEB-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.21
Rot. Bonds13

About 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid

1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid (PubChem CID 175528326) has the molecular formula C20H43N2O4P and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid.

Molecular Properties

Compound Name1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid
PubChem CID175528326
Molecular FormulaC20H43N2O4P
Molecular Weight406.55 g/mol
Exact Mass406.30
IUPAC Name1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid
SMILESCCCCCCCCCCCCN1C=C(CC)N(C)C1CC.O=P(O)(O)O
InChIInChI=1S/C20H40N2.H3O4P/c1-5-8-9-10-11-12-13-14-15-16-17-22-18-19(6-2)21(4)20(22)7-3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4)
InChIKeyFLRKCNAKZREAEB-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

phosphoric acid;2,3,4-trimethyl-1-tetradecyl-2H-imidazole
CID 175528314
2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
2-ethyl-1-hexadecyl-3-pentadecyl-2H-imidazole
CID 69392466
2-ethyl-1-heptyl-3-octadecyl-2H-imidazole
CID 69388270
2-ethyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69392894
1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
CID 69391926
2-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
CID 69391593
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
2-ethyl-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1-butyl-2-ethyl-3-hexyl-2H-imidazole
CID 69393295
dodecane;phosphoric acid
CID 88801558

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid?
The IUPAC name of 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid (CID 175528326) is 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid.
What is the SMILES notation for 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid?
The canonical SMILES for 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid is CCCCCCCCCCCCN1C=C(CC)N(C)C1CC.O=P(O)(O)O.
What is the InChIKey of 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid?
The InChIKey is FLRKCNAKZREAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2.H3O4P/c1-5-8-9-10-11-12-13-14-15-16-17-22-18-19(6-2)21(4)20(22)7-3;1-5(2,3)4/h18,20H,5-17H2,1-4H3;(H3,1,2,3,4).
What are the key properties of 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid?
1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid 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 1-dodecyl-2,4-diethyl-3-methyl-2H-imidazole;phosphoric acid is sourced from PubChem (CID 175528326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).