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

C17H28N2O3 — CID 175228850

IUPAC1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-12-19-14-11-13-22-16(14)18(2)15(19)17(20)21/h11,13,15H,3-10,12H2,1-2H3,(H,20,21)
InChIKeyINZNPGTXXMWMTD-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.09
Rot. Bonds10

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

1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228850) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228850
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-12-19-14-11-13-22-16(14)18(2)15(19)17(20)21/h11,13,15H,3-10,12H2,1-2H3,(H,20,21)
InChIKeyINZNPGTXXMWMTD-UHFFFAOYSA-N
XLogP4.09
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.09
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-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228850) is 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is INZNPGTXXMWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-12-19-14-11-13-22-16(14)18(2)15(19)17(20)21/h11,13,15H,3-10,12H2,1-2H3,(H,20,21).
What are the key properties of 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 308.42 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).