3-[5-(furan-3-yl)benzimidazol-1-yl]phenol

C17H12N2O2 — CID 70101805

IUPAC3-[5-(furan-3-yl)benzimidazol-1-yl]phenol
SMILESOc1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1
InChIInChI=1S/C17H12N2O2/c20-15-3-1-2-14(9-15)19-11-18-16-8-12(4-5-17(16)19)13-6-7-21-10-13/h1-11,20H
InChIKeyREZVEUMHLOVBLZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.99
Rot. Bonds2

About 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol

3-[5-(furan-3-yl)benzimidazol-1-yl]phenol (PubChem CID 70101805) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-(furan-3-yl)benzimidazol-1-yl]phenol
PubChem CID70101805
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-[5-(furan-3-yl)benzimidazol-1-yl]phenol
SMILESOc1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1
InChIInChI=1S/C17H12N2O2/c20-15-3-1-2-14(9-15)19-11-18-16-8-12(4-5-17(16)19)13-6-7-21-10-13/h1-11,20H
InChIKeyREZVEUMHLOVBLZ-UHFFFAOYSA-N
XLogP3.99
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol?
The IUPAC name of 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol (CID 70101805) is 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol.
What is the SMILES notation for 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol?
The canonical SMILES for 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol is Oc1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1.
What is the InChIKey of 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol?
The InChIKey is REZVEUMHLOVBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-15-3-1-2-14(9-15)19-11-18-16-8-12(4-5-17(16)19)13-6-7-21-10-13/h1-11,20H.
What are the key properties of 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol?
3-[5-(furan-3-yl)benzimidazol-1-yl]phenol has a molecular weight of 276.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-3-yl)benzimidazol-1-yl]phenol is sourced from PubChem (CID 70101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).