4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one

C11H8N2O3 — CID 136917673

IUPAC4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1c1nc2ccccc2[nH]1
InChIInChI=1S/C11H8N2O3/c14-8-5-16-11(15)9(8)10-12-6-3-1-2-4-7(6)13-10/h1-4,14H,5H2,(H,12,13)
InChIKeyVCUNYTFSLQPPSB-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.39
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one

4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one (PubChem CID 136917673) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one
PubChem CID136917673
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1c1nc2ccccc2[nH]1
InChIInChI=1S/C11H8N2O3/c14-8-5-16-11(15)9(8)10-12-6-3-1-2-4-7(6)13-10/h1-4,14H,5H2,(H,12,13)
InChIKeyVCUNYTFSLQPPSB-UHFFFAOYSA-N
XLogP1.39
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-4-hydroxy-5,5-dimethylfuran-2-one
CID 135440568
2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
CID 135727187
CID 121235374
CID 121235374
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
N-[4-(1H-benzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzamide
CID 135437503
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
4-(1H-benzimidazol-2-yl)-1-(3,5-dichlorophenyl)-5-imino-2H-pyrrol-3-ol
CID 135398824
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-(1H-benzimidazol-2-yl)-5-(2,4-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one
CID 135574548
4-(1H-benzimidazol-2-yl)-1-(1,3-benzodioxol-5-yl)-5-imino-2H-pyrrol-3-ol
CID 135493443

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one (CID 136917673) is 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one is O=C1OCC(O)=C1c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one?
The InChIKey is VCUNYTFSLQPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-8-5-16-11(15)9(8)10-12-6-3-1-2-4-7(6)13-10/h1-4,14H,5H2,(H,12,13).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one?
4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one has a molecular weight of 216.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 136917673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).