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

C21H36N2O3 — CID 175228789

IUPAC3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C21H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-18-15-17-26-20(18)22(2)19(23)21(24)25/h15,17,19H,3-14,16H2,1-2H3,(H,24,25)
InChIKeyVTFLWKAPNAYKOX-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.65
Rot. Bonds14

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

3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228789) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228789
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C21H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-18-15-17-26-20(18)22(2)19(23)21(24)25/h15,17,19H,3-14,16H2,1-2H3,(H,24,25)
InChIKeyVTFLWKAPNAYKOX-UHFFFAOYSA-N
XLogP5.65
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.65
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-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228789) is 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is VTFLWKAPNAYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-18-15-17-26-20(18)22(2)19(23)21(24)25/h15,17,19H,3-14,16H2,1-2H3,(H,24,25).
What are the key properties of 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 364.53 g/mol, XLogP of 5.65, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).