benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate

C18H16F3N3O2 — CID 54359594

IUPACbenzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate
SMILESCN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H16F3N3O2/c1-24(17(25)26-11-12-5-3-2-4-6-12)10-16-22-14-8-7-13(18(19,20)21)9-15(14)23-16/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyULOHLGUPTJJRGP-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.35
Rot. Bonds4

About benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate

benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate (PubChem CID 54359594) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate
PubChem CID54359594
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Namebenzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate
SMILESCN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H16F3N3O2/c1-24(17(25)26-11-12-5-3-2-4-6-12)10-16-22-14-8-7-13(18(19,20)21)9-15(14)23-16/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyULOHLGUPTJJRGP-UHFFFAOYSA-N
XLogP4.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate (CID 54359594) is benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate is CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate?
The InChIKey is ULOHLGUPTJJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-24(17(25)26-11-12-5-3-2-4-6-12)10-16-22-14-8-7-13(18(19,20)21)9-15(14)23-16/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate?
benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate has a molecular weight of 363.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 54359594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).