2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C18H22F3N3O2 — CID 18169394

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C18H22F3N3O2/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-13-7-5-6-12(10-13)18(19,20)21/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3,(H,22,25)
InChIKeyAFNJIUBXCFZTHI-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 18169394) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID18169394
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C18H22F3N3O2/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-13-7-5-6-12(10-13)18(19,20)21/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3,(H,22,25)
InChIKeyAFNJIUBXCFZTHI-UHFFFAOYSA-N
XLogP3.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Fluorphine
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(R)-1-ethyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 18169394) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is CCn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is AFNJIUBXCFZTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-13-7-5-6-12(10-13)18(19,20)21/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 18169394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).