2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole

C11H11F3N2O — CID 143625976

IUPAC2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)c(C)cc2[nH]1
InChIInChI=1S/C11H11F3N2O/c1-6-3-8-9(4-7(6)11(12,13)14)16-10(15-8)5-17-2/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyHSGIEIORGIYQRM-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.04
Rot. Bonds2

About 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole

2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole (PubChem CID 143625976) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
PubChem CID143625976
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)c(C)cc2[nH]1
InChIInChI=1S/C11H11F3N2O/c1-6-3-8-9(4-7(6)11(12,13)14)16-10(15-8)5-17-2/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyHSGIEIORGIYQRM-UHFFFAOYSA-N
XLogP3.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole
CID 143625980
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 141434696
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56858288
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135682064
2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
CID 162553480
N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole (CID 143625976) is 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole is COCc1nc2cc(C(F)(F)F)c(C)cc2[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is HSGIEIORGIYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-6-3-8-9(4-7(6)11(12,13)14)16-10(15-8)5-17-2/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole?
2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 244.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 143625976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).