[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate

C17H13Cl2N3O4 — CID 24980355

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13Cl2N3O4/c18-11-2-1-3-12(19)10(11)7-16(24)26-8-15(23)20-9-4-5-13-14(6-9)22-17(25)21-13/h1-6H,7-8H2,(H,20,23)(H2,21,22,25)
InChIKeyNCWPCKSRZPPUKM-UHFFFAOYSA-N
MW394.21 g/mol
LogP2.89
Rot. Bonds5

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 24980355) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID24980355
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13Cl2N3O4/c18-11-2-1-3-12(19)10(11)7-16(24)26-8-15(23)20-9-4-5-13-14(6-9)22-17(25)21-13/h1-6H,7-8H2,(H,20,23)(H2,21,22,25)
InChIKeyNCWPCKSRZPPUKM-UHFFFAOYSA-N
XLogP2.89
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate (CID 24980355) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is NCWPCKSRZPPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c18-11-2-1-3-12(19)10(11)7-16(24)26-8-15(23)20-9-4-5-13-14(6-9)22-17(25)21-13/h1-6H,7-8H2,(H,20,23)(H2,21,22,25).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 394.21 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 24980355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).