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

C17H20F3N3O2 — CID 18169395

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H20F3N3O2/c1-22-13-7-2-3-8-14(13)23(16(22)25)10-15(24)21-12-6-4-5-11(9-12)17(18,19)20/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,21,24)
InChIKeyYMGGPJHKERTSAH-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.58
Rot. Bonds3

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

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 18169395) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID18169395
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H20F3N3O2/c1-22-13-7-2-3-8-14(13)23(16(22)25)10-15(24)21-12-6-4-5-11(9-12)17(18,19)20/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,21,24)
InChIKeyYMGGPJHKERTSAH-UHFFFAOYSA-N
XLogP2.58
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 18169395) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is Cn1c(=O)n(CC(=O)NC2CCCC(C(F)(F)F)C2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is YMGGPJHKERTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-22-13-7-2-3-8-14(13)23(16(22)25)10-15(24)21-12-6-4-5-11(9-12)17(18,19)20/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,21,24).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 18169395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).