3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde

C15H14N2O2 — CID 106886542

IUPAC3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
SMILESCCn1c(Cc2ccoc2C=O)nc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-2-17-13-6-4-3-5-12(13)16-15(17)9-11-7-8-19-14(11)10-18/h3-8,10H,2,9H2,1H3
InChIKeyOOCKHEKMCZJCEV-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.05
Rot. Bonds4

About 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde

3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde (PubChem CID 106886542) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
PubChem CID106886542
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
SMILESCCn1c(Cc2ccoc2C=O)nc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-2-17-13-6-4-3-5-12(13)16-15(17)9-11-7-8-19-14(11)10-18/h3-8,10H,2,9H2,1H3
InChIKeyOOCKHEKMCZJCEV-UHFFFAOYSA-N
XLogP3.05
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
CID 105408180
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
CID 59065201
CID 59065201
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde (CID 106886542) is 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde is CCn1c(Cc2ccoc2C=O)nc2ccccc21.
What is the InChIKey of 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde?
The InChIKey is OOCKHEKMCZJCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-17-13-6-4-3-5-12(13)16-15(17)9-11-7-8-19-14(11)10-18/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde?
3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 106886542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).