1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid

C19H32N2O3 — CID 175228841

IUPAC1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-14-21-16-13-15-24-18(16)20(2)17(21)19(22)23/h13,15,17H,3-12,14H2,1-2H3,(H,22,23)
InChIKeyJDPIZLXQWWEUJY-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.87
Rot. Bonds12

About 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid

1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228841) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228841
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-14-21-16-13-15-24-18(16)20(2)17(21)19(22)23/h13,15,17H,3-12,14H2,1-2H3,(H,22,23)
InChIKeyJDPIZLXQWWEUJY-UHFFFAOYSA-N
XLogP4.87
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228841) is 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is JDPIZLXQWWEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-14-21-16-13-15-24-18(16)20(2)17(21)19(22)23/h13,15,17H,3-12,14H2,1-2H3,(H,22,23).
What are the key properties of 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 336.48 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).