methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate

C13H13ClF3N3O2 — CID 162576359

IUPACmethyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cn1c(C(F)(F)F)nc2cc(C)cc(Cl)c21
InChIInChI=1S/C13H13ClF3N3O2/c1-7-4-8(14)10-9(5-7)18-11(13(15,16)17)20(10)6-19(2)12(21)22-3/h4-5H,6H2,1-3H3
InChIKeyDUTNPLHZNGFAGX-UHFFFAOYSA-N
MW335.71 g/mol
LogP3.67
Rot. Bonds2

About methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate

methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate (PubChem CID 162576359) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate
PubChem CID162576359
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC Namemethyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cn1c(C(F)(F)F)nc2cc(C)cc(Cl)c21
InChIInChI=1S/C13H13ClF3N3O2/c1-7-4-8(14)10-9(5-7)18-11(13(15,16)17)20(10)6-19(2)12(21)22-3/h4-5H,6H2,1-3H3
InChIKeyDUTNPLHZNGFAGX-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate (CID 162576359) is methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate is COC(=O)N(C)Cn1c(C(F)(F)F)nc2cc(C)cc(Cl)c21.
What is the InChIKey of methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate?
The InChIKey is DUTNPLHZNGFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c1-7-4-8(14)10-9(5-7)18-11(13(15,16)17)20(10)6-19(2)12(21)22-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate?
methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate has a molecular weight of 335.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 162576359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).