6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole

C10H11BrF2N2 — CID 169277817

IUPAC6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC(Br)=CC2N1CC(F)F
InChIInChI=1S/C10H11BrF2N2/c1-6-14-8-3-2-7(11)4-9(8)15(6)5-10(12)13/h2-4,8-10H,5H2,1H3
InChIKeyWQWXVSYOUNEZGV-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.57
Rot. Bonds2

About 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole

6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 169277817) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole
PubChem CID169277817
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC(Br)=CC2N1CC(F)F
InChIInChI=1S/C10H11BrF2N2/c1-6-14-8-3-2-7(11)4-9(8)15(6)5-10(12)13/h2-4,8-10H,5H2,1H3
InChIKeyWQWXVSYOUNEZGV-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
2-Methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
CID 89144272
1,2-Dimethyl-3a,7a-dihydrobenzimidazole;ethane
CID 91124359
1,2-Dimethyl-3a,7a-dihydrobenzimidazole;ethane
CID 143637437

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole (CID 169277817) is 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole is CC1=NC2C=CC(Br)=CC2N1CC(F)F.
What is the InChIKey of 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is WQWXVSYOUNEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c1-6-14-8-3-2-7(11)4-9(8)15(6)5-10(12)13/h2-4,8-10H,5H2,1H3.
What are the key properties of 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole has a molecular weight of 277.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 169277817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).