2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

C18H16F3N3O3 — CID 38034884

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H16F3N3O3/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-12-6-5-7-13(10-12)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)
InChIKeyIGADZMJJRMFILC-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 38034884) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID38034884
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H16F3N3O3/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-12-6-5-7-13(10-12)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)
InChIKeyIGADZMJJRMFILC-UHFFFAOYSA-N
XLogP3.36
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55676941
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55836005

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 38034884) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is CCn1c(=O)n(CC(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is IGADZMJJRMFILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-2-23-14-8-3-4-9-15(14)24(17(23)26)11-16(25)22-12-6-5-7-13(10-12)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 38034884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).