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

C12H18N2O3 — CID 175228823

IUPAC3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-4-5-7-14-9-6-8-17-11(9)13(2)10(14)12(15)16/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyDTAWREQMIMNDBG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.14
Rot. Bonds5

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

3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228823) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228823
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-4-5-7-14-9-6-8-17-11(9)13(2)10(14)12(15)16/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyDTAWREQMIMNDBG-UHFFFAOYSA-N
XLogP2.14
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.14
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-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228823) is 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is DTAWREQMIMNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-5-7-14-9-6-8-17-11(9)13(2)10(14)12(15)16/h6,8,10H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).