6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole

C11H10F2N2O2 — CID 145257578

IUPAC6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCCc1nc2cc3c(cc2n1C)OC(F)(F)O3
InChIInChI=1S/C11H10F2N2O2/c1-3-10-14-6-4-8-9(5-7(6)15(10)2)17-11(12,13)16-8/h4-5H,3H2,1-2H3
InChIKeyDZIXNFYCGANQHO-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.46
Rot. Bonds1

About 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole

6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 145257578) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID145257578
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCCc1nc2cc3c(cc2n1C)OC(F)(F)O3
InChIInChI=1S/C11H10F2N2O2/c1-3-10-14-6-4-8-9(5-7(6)15(10)2)17-11(12,13)16-8/h4-5H,3H2,1-2H3
InChIKeyDZIXNFYCGANQHO-UHFFFAOYSA-N
XLogP2.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
CID 23572275
6-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 126574535
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 122608310
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-bromo-3-ethyl-6,6,7,7-tetrafluoro-[1,4]dioxino[2,3-f]benzimidazole
CID 20675417
2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide
CID 100776455
1-[5-[6-(2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-ethylsulfonyl-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carbonitrile
CID 168853832
N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide
CID 46964212
2-ethyl-5-isocyanato-1-methylbenzimidazole
CID 169353178
6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
CID 168908427
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole (CID 145257578) is 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole is CCc1nc2cc3c(cc2n1C)OC(F)(F)O3.
What is the InChIKey of 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is DZIXNFYCGANQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-3-10-14-6-4-8-9(5-7(6)15(10)2)17-11(12,13)16-8/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 240.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 145257578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).