methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate

C18H15F3N2O2 — CID 67129079

IUPACmethyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2c(C)nc3ccc(C(F)(F)F)cc32)c1C
InChIInChI=1S/C18H15F3N2O2/c1-10-13(17(24)25-3)5-4-6-15(10)23-11(2)22-14-8-7-12(9-16(14)23)18(19,20)21/h4-9H,1-3H3
InChIKeyKEYZZAVYNJDHFB-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.45
Rot. Bonds2

About methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate

methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate (PubChem CID 67129079) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate
PubChem CID67129079
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Namemethyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2c(C)nc3ccc(C(F)(F)F)cc32)c1C
InChIInChI=1S/C18H15F3N2O2/c1-10-13(17(24)25-3)5-4-6-15(10)23-11(2)22-14-8-7-12(9-16(14)23)18(19,20)21/h4-9H,1-3H3
InChIKeyKEYZZAVYNJDHFB-UHFFFAOYSA-N
XLogP4.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 6-carbamimidoyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylate
CID 175711504
methyl 2-methyl-3-[2-(oxolan-2-yl)-5-(trifluoromethoxy)benzimidazol-1-yl]benzoate
CID 77184932
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 1-[3-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]azetidine-3-carboxylate
CID 126645049
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 1-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-4-carboxylate
CID 122476316
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxy-3H-isoindol-1-one;methyl 3-methoxy-2-methylbenzoate
CID 158769874
methyl 2-[(2,6-dichlorophenyl)carbamoylamino]-4-(trifluoromethyl)benzoate
CID 10525434

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The IUPAC name of methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate (CID 67129079) is methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The canonical SMILES for methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate is COC(=O)c1cccc(-n2c(C)nc3ccc(C(F)(F)F)cc32)c1C.
What is the InChIKey of methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate?
The InChIKey is KEYZZAVYNJDHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-10-13(17(24)25-3)5-4-6-15(10)23-11(2)22-14-8-7-12(9-16(14)23)18(19,20)21/h4-9H,1-3H3.
What are the key properties of methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate?
methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate has a molecular weight of 348.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]benzoate is sourced from PubChem (CID 67129079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).