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

C11H12N2O2 — CID 106886538

IUPAC5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde
SMILESCCn1ccnc1Cc1ccc(C=O)o1
InChIInChI=1S/C11H12N2O2/c1-2-13-6-5-12-11(13)7-9-3-4-10(8-14)15-9/h3-6,8H,2,7H2,1H3
InChIKeyYSRIMLZOYNUAOP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.90
Rot. Bonds4

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

5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde (PubChem CID 106886538) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde
PubChem CID106886538
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde
SMILESCCn1ccnc1Cc1ccc(C=O)o1
InChIInChI=1S/C11H12N2O2/c1-2-13-6-5-12-11(13)7-9-3-4-10(8-14)15-9/h3-6,8H,2,7H2,1H3
InChIKeyYSRIMLZOYNUAOP-UHFFFAOYSA-N
XLogP1.90
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid
CID 79738810
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
4-[(1-ethylimidazol-2-yl)methyl]cyclohex-3-en-1-one
CID 83261739
2-[(1-ethylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 116795282
5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 79737828
5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde
CID 91285216

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde (CID 106886538) is 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde is CCn1ccnc1Cc1ccc(C=O)o1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde?
The InChIKey is YSRIMLZOYNUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-13-6-5-12-11(13)7-9-3-4-10(8-14)15-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde?
5-[(1-ethylimidazol-2-yl)methyl]furan-2-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 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-carbaldehyde is sourced from PubChem (CID 106886538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).