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

C20H34N2O3 — CID 175371249

IUPAC3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C20H34N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-22-17-14-16-25-19(17)21(2)18(22)20(23)24/h14,16,18H,3-13,15H2,1-2H3,(H,23,24)
InChIKeyZSAMIFGVZNFVFN-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.26
Rot. Bonds13

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

3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175371249) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175371249
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C20H34N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-22-17-14-16-25-19(17)21(2)18(22)20(23)24/h14,16,18H,3-13,15H2,1-2H3,(H,23,24)
InChIKeyZSAMIFGVZNFVFN-UHFFFAOYSA-N
XLogP5.26
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.26
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 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175371249) is 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is ZSAMIFGVZNFVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-22-17-14-16-25-19(17)21(2)18(22)20(23)24/h14,16,18H,3-13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 350.50 g/mol, XLogP of 5.26, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175371249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).