2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C20H18F3N5O3 — CID 25258480

IUPAC2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)12-1-4-14(5-2-12)27-7-9-28(10-8-27)18(30)17(29)24-13-3-6-15-16(11-13)26-19(31)25-15/h1-6,11H,7-10H2,(H,24,29)(H2,25,26,31)
InChIKeyMYBOMFZCVBSFKH-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.16
Rot. Bonds2

About 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 25258480) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID25258480
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)12-1-4-14(5-2-12)27-7-9-28(10-8-27)18(30)17(29)24-13-3-6-15-16(11-13)26-19(31)25-15/h1-6,11H,7-10H2,(H,24,29)(H2,25,26,31)
InChIKeyMYBOMFZCVBSFKH-UHFFFAOYSA-N
XLogP2.16
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258955
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25258957
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
6-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 166634467
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10201898
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 25258480) is 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is MYBOMFZCVBSFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)12-1-4-14(5-2-12)27-7-9-28(10-8-27)18(30)17(29)24-13-3-6-15-16(11-13)26-19(31)25-15/h1-6,11H,7-10H2,(H,24,29)(H2,25,26,31).
What are the key properties of 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 25258480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).