2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C20H20F3N3O3 — CID 24647639

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C20H20F3N3O3/c1-2-25-16-5-3-4-6-17(16)26(19(25)28)12-18(27)24-11-14-7-9-15(10-8-14)29-13-20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27)
InChIKeyRCTACFFVBACDJP-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.08
Rot. Bonds7

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 24647639) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID24647639
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C20H20F3N3O3/c1-2-25-16-5-3-4-6-17(16)26(19(25)28)12-18(27)24-11-14-7-9-15(10-8-14)29-13-20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27)
InChIKeyRCTACFFVBACDJP-UHFFFAOYSA-N
XLogP3.08
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155594
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24623208
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 24647639) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is CCn1c(=O)n(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is RCTACFFVBACDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-2-25-16-5-3-4-6-17(16)26(19(25)28)12-18(27)24-11-14-7-9-15(10-8-14)29-13-20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.08, 7 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-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 24647639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).