N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

C17H14Cl3N3O3 — CID 4665308

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl
InChIInChI=1S/C17H14Cl3N3O3/c1-7-13(18)8(2)15(20)16(14(7)19)26-6-12(24)21-9-3-4-10-11(5-9)23-17(25)22-10/h3-5H,6H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyHSYBQEBSASJHJJ-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.45
Rot. Bonds4

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 4665308) has the molecular formula C17H14Cl3N3O3 and a molecular weight of 414.68 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID4665308
Molecular FormulaC17H14Cl3N3O3
Molecular Weight414.68 g/mol
Exact Mass413.01
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl
InChIInChI=1S/C17H14Cl3N3O3/c1-7-13(18)8(2)15(20)16(14(7)19)26-6-12(24)21-9-3-4-10-11(5-9)23-17(25)22-10/h3-5H,6H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyHSYBQEBSASJHJJ-UHFFFAOYSA-N
XLogP4.45
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 17117567
trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2097887
cis-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 2097889
2-dibenzofuran-2-yloxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 26645002

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 4665308) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is HSYBQEBSASJHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O3/c1-7-13(18)8(2)15(20)16(14(7)19)26-6-12(24)21-9-3-4-10-11(5-9)23-17(25)22-10/h3-5H,6H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 414.68 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 4665308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).