5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde

C20H16N2O3 — CID 169334349

IUPAC5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3CCO)o1
InChIInChI=1S/C20H16N2O3/c23-11-10-22-18-8-6-15(19-9-7-16(13-24)25-19)12-17(18)21-20(22)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2
InChIKeyDTKHVZYSURTVNB-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.77
Rot. Bonds5

About 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde

5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde (PubChem CID 169334349) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
PubChem CID169334349
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3CCO)o1
InChIInChI=1S/C20H16N2O3/c23-11-10-22-18-8-6-15(19-9-7-16(13-24)25-19)12-17(18)21-20(22)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2
InChIKeyDTKHVZYSURTVNB-UHFFFAOYSA-N
XLogP3.77
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]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

5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
CID 82149303
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
CID 168582471
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate
CID 169334623
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde (CID 169334349) is 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3CCO)o1.
What is the InChIKey of 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde?
The InChIKey is DTKHVZYSURTVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-11-10-22-18-8-6-15(19-9-7-16(13-24)25-19)12-17(18)21-20(22)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2.
What are the key properties of 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde?
5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde has a molecular weight of 332.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169334349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).