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

C18H30N2O3 — CID 175228879

IUPAC3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C18H30N2O3/c1-3-4-5-6-7-8-9-10-11-13-20-15-12-14-23-17(15)19(2)16(20)18(21)22/h12,14,16H,3-11,13H2,1-2H3,(H,21,22)
InChIKeyXGUPYTNBEDEQCZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.48
Rot. Bonds11

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

3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228879) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228879
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C18H30N2O3/c1-3-4-5-6-7-8-9-10-11-13-20-15-12-14-23-17(15)19(2)16(20)18(21)22/h12,14,16H,3-11,13H2,1-2H3,(H,21,22)
InChIKeyXGUPYTNBEDEQCZ-UHFFFAOYSA-N
XLogP4.48
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.48
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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Related Compounds

1-hexyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228920
3-methyl-1-tridecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175371249
1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
CID 175398935
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
furan-2-carboxylic acid;hexane
CID 157215891
3-hexyl-2H-1,3-benzothiazole-2-thiol
CID 54483251
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
(2R,3S)-2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202384
1-(furan-2-yl)undecan-1-one
CID 15721327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228879) is 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCCCCCCCCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is XGUPYTNBEDEQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-3-4-5-6-7-8-9-10-11-13-20-15-12-14-23-17(15)19(2)16(20)18(21)22/h12,14,16H,3-11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 322.45 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).