5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid

C11H12N2O3 — CID 79738810

IUPAC5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid
SMILESCCn1ccnc1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H12N2O3/c1-2-13-6-5-12-10(13)7-8-3-4-9(16-8)11(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyQNNGALDBZKTSCB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.78
Rot. Bonds4

About 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid

5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid (PubChem CID 79738810) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid
PubChem CID79738810
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid
SMILESCCn1ccnc1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H12N2O3/c1-2-13-6-5-12-10(13)7-8-3-4-9(16-8)11(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyQNNGALDBZKTSCB-UHFFFAOYSA-N
XLogP1.78
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886538
[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
CID 116590098
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid (CID 79738810) is 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid is CCn1ccnc1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid?
The InChIKey is QNNGALDBZKTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-13-6-5-12-10(13)7-8-3-4-9(16-8)11(14)15/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid?
5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).