2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole

C11H10F2N2O2 — CID 134462988

IUPAC2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCC(C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C11H10F2N2O2/c1-5(2)10-14-6-3-8-9(4-7(6)15-10)17-11(12,13)16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyWFXIXJCNVJHODG-UHFFFAOYSA-N
MW240.21 g/mol
LogP3.01
Rot. Bonds1

About 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole

2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 134462988) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID134462988
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCC(C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C11H10F2N2O2/c1-5(2)10-14-6-3-8-9(4-7(6)15-10)17-11(12,13)16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyWFXIXJCNVJHODG-UHFFFAOYSA-N
XLogP3.01
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-5,7-dihydro-[1,3]dioxolo[4,5-f]benzimidazole-6-thione
CID 11401952
2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 11041715
2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 82336593
1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethanamine
CID 43114491
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
2-(1-chloroethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43115281
(1S)-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethanol
CID 66264284
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
CID 72721823
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide
CID 72720604
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
CID 72721720
CID 162266881
CID 162266881
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole (CID 134462988) is 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole is CC(C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is WFXIXJCNVJHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-5(2)10-14-6-3-8-9(4-7(6)15-10)17-11(12,13)16-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole?
2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 240.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 134462988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).