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

C16H26N2O3 — CID 175228847

IUPAC3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-7-8-9-11-18-13-10-12-21-15(13)17(2)14(18)16(19)20/h10,12,14H,3-9,11H2,1-2H3,(H,19,20)
InChIKeyUDHPHIBDINAQJP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.70
Rot. Bonds9

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

3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228847) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228847
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-7-8-9-11-18-13-10-12-21-15(13)17(2)14(18)16(19)20/h10,12,14H,3-9,11H2,1-2H3,(H,19,20)
InChIKeyUDHPHIBDINAQJP-UHFFFAOYSA-N
XLogP3.70
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.70
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-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228847) is 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is UDHPHIBDINAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-5-6-7-8-9-11-18-13-10-12-21-15(13)17(2)14(18)16(19)20/h10,12,14H,3-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).