2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole

C12H13F3N2O — CID 143625980

IUPAC2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)c(C)cc2n1C
InChIInChI=1S/C12H13F3N2O/c1-7-4-10-9(5-8(7)12(13,14)15)16-11(6-18-3)17(10)2/h4-5H,6H2,1-3H3
InChIKeyJYYIYWHJYIQTQT-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.05
Rot. Bonds2

About 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole

2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole (PubChem CID 143625980) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole
PubChem CID143625980
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)c(C)cc2n1C
InChIInChI=1S/C12H13F3N2O/c1-7-4-10-9(5-8(7)12(13,14)15)16-11(6-18-3)17(10)2/h4-5H,6H2,1-3H3
InChIKeyJYYIYWHJYIQTQT-UHFFFAOYSA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-3-methylbenzimidazol-5-amine
CID 91560563
2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
CID 143625976
3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile
CID 103213093
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
1,5-dimethyl-6-(trifluoromethyl)indazole
CID 147922092
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
N-[6-(2-hydroxypropan-2-yl)-2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 160519555
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
CID 46309462

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole (CID 143625980) is 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole is COCc1nc2cc(C(F)(F)F)c(C)cc2n1C.
What is the InChIKey of 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is JYYIYWHJYIQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-4-10-9(5-8(7)12(13,14)15)16-11(6-18-3)17(10)2/h4-5H,6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole?
2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 258.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 143625980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).