7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole

C14H10N2O2 — CID 5328527

IUPAC7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESc1ccc(-n2cnc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C14H10N2O2/c1-2-4-10(5-3-1)16-8-15-11-6-13-14(7-12(11)16)18-9-17-13/h1-8H,9H2
InChIKeyIDYRCYDXFSHXAN-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.75
Rot. Bonds1

About 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole

7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 5328527) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID5328527
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESc1ccc(-n2cnc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C14H10N2O2/c1-2-4-10(5-3-1)16-8-15-11-6-13-14(7-12(11)16)18-9-17-13/h1-8H,9H2
InChIKeyIDYRCYDXFSHXAN-UHFFFAOYSA-N
XLogP2.75
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole (CID 5328527) is 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole is c1ccc(-n2cnc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is IDYRCYDXFSHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-2-4-10(5-3-1)16-8-15-11-6-13-14(7-12(11)16)18-9-17-13/h1-8H,9H2.
What are the key properties of 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole?
7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 238.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 5328527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).