5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole

C11H12F2N2O — CID 103020900

IUPAC5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole
SMILESCOC(C)(C)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H12F2N2O/c1-11(2,16-3)10-14-8-4-6(12)7(13)5-9(8)15-10/h4-5H,1-3H3,(H,14,15)
InChIKeyXREYTPSWKHGEBU-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.72
Rot. Bonds2

About 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole

5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole (PubChem CID 103020900) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole
PubChem CID103020900
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole
SMILESCOC(C)(C)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H12F2N2O/c1-11(2,16-3)10-14-8-4-6(12)7(13)5-9(8)15-10/h4-5H,1-3H3,(H,14,15)
InChIKeyXREYTPSWKHGEBU-UHFFFAOYSA-N
XLogP2.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-difluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 62803874
2-(5,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798993
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
CID 55124065
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
5-chloro-6-fluoro-2-methoxy-1H-benzimidazole
CID 131079725
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196
(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
CID 155081912
3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153947
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole (CID 103020900) is 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole is COC(C)(C)c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole?
The InChIKey is XREYTPSWKHGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-11(2,16-3)10-14-8-4-6(12)7(13)5-9(8)15-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole?
5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole has a molecular weight of 226.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 103020900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).