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

C10H14N2O3 — CID 175228766

IUPAC3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-5-12-7-4-6-15-9(7)11(2)8(12)10(13)14/h4,6,8H,3,5H2,1-2H3,(H,13,14)
InChIKeyHFDLYUKDHAVDJO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds3

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

3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 175228766) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
PubChem CID175228766
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
SMILESCCCN1c2ccoc2N(C)C1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-5-12-7-4-6-15-9(7)11(2)8(12)10(13)14/h4,6,8H,3,5H2,1-2H3,(H,13,14)
InChIKeyHFDLYUKDHAVDJO-UHFFFAOYSA-N
XLogP1.36
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-furo[2,3-d]imidazole
CID 58996134
1,3-Dihydrofuro[2,3-d]imidazol-2-one
CID 69288328
5-amino-1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69288376
1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69289798
3-Hydroxy-1,2-dihydrofuro[2,3-d]imidazole
CID 69607920
1-hexadecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228769
1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228781
3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228789
3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228823
1-dodecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228841
3-methyl-1-nonyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228847
1-decyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid (CID 175228766) is 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is CCCN1c2ccoc2N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is HFDLYUKDHAVDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-5-12-7-4-6-15-9(7)11(2)8(12)10(13)14/h4,6,8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid?
3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 175228766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).