2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
Basic information
- CAS
216308-19-9- Standard SMILES
N=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)o2)cc1- InChIKey
LXJNJISEUJIGFP-UHFFFAOYSA-N- Molecular formula
- C19H16N6O
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.13855916
Names & identifiers
- Preferred name
- 2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
- IUPAC
- 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
- English name
- 1H-Benzimidazole-6-carboximidamide, 2-[5-[4-(aminoiminomethyl)phenyl]-2-furanyl]-
- Molecular formula
- C19H16N6O
- Molecular weight
- 344.37
Names & synonyms
216308-19-9DB2932-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide2-(5-amidino-2-benzimidazolyl)-5-(4-amidinophenyl)furan2-[5-(4-carbamimidoylphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide1H-Benzimidazole-5-carboximidamide, 2-(5-(4-(aminoiminomethyl)phenyl)-2-furanyl)-1H-Benzimidazole-5-carboximidamide, 2-[5-[4-(aminoiminomethyl)phenyl]-2-furanyl]-CHEMBL62071orb1739623SCHEMBL12348382DTXSID90176021GLXC-20090
Show more names
1H-Benzimidazole-6-carboximidamide, 2-[5-[4-(aminoiminomethyl)phenyl]-2-furanyl]-
DB 293T69857Q274630562-[5-(4-carbamimidoylphenyl)-2-furyl]-1H-benzimidazole-5-carboxamidine2-[5-(4-carbamimidoylphenyl)-2-furyl]-3H-benzimidazole-5-carboxamidine2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-1H-1,3-benzimidazole-6-carboximidamide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 630.9 · 630.9±65.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 10 · 10.00±0.10(Predicted)
Chemistry & industry
Applications
DescriptionDB293 is an inhibitor of PIT-1 and BRN-3 transcription factors. DB293 binds as head-to-tail stacked dimers in the minor groove of 5'-ATGA sequence, thereby leading to an increase in the size of minor groove.
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Compound notes
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