methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate

C19H17F3N2O2 — CID 15376227

IUPACmethyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(C(F)(F)F)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H17F3N2O2/c1-11-8-15-16(9-12(11)2)24(18(23-15)19(20,21)22)10-13-4-6-14(7-5-13)17(25)26-3/h4-9H,10H2,1-3H3
InChIKeyGJEDYYBRAUMHRW-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.51
Rot. Bonds3

About methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate

methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate (PubChem CID 15376227) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate
PubChem CID15376227
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Namemethyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(C(F)(F)F)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H17F3N2O2/c1-11-8-15-16(9-12(11)2)24(18(23-15)19(20,21)22)10-13-4-6-14(7-5-13)17(25)26-3/h4-9H,10H2,1-3H3
InChIKeyGJEDYYBRAUMHRW-UHFFFAOYSA-N
XLogP4.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate (CID 15376227) is methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2c(C(F)(F)F)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate?
The InChIKey is GJEDYYBRAUMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-11-8-15-16(9-12(11)2)24(18(23-15)19(20,21)22)10-13-4-6-14(7-5-13)17(25)26-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate?
methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate has a molecular weight of 362.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 15376227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).