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

C17H13ClFN3O4 — CID 2097069

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13ClFN3O4/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)
InChIKeyANUNFRBXUOSDBY-UHFFFAOYSA-N
MW377.76 g/mol
LogP2.37
Rot. Bonds5

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2097069) has the molecular formula C17H13ClFN3O4 and a molecular weight of 377.76 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2097069
Molecular FormulaC17H13ClFN3O4
Molecular Weight377.76 g/mol
Exact Mass377.06
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13ClFN3O4/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)
InChIKeyANUNFRBXUOSDBY-UHFFFAOYSA-N
XLogP2.37
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate with MolForge

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Related Compounds

[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate
CID 24654209
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-chlorophenyl)acetate
CID 24979022
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 24980237
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 24980355
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
CID 24980718
[2-[(2-Fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9103025
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-chlorobenzoate
CID 24983170
2-Oxo-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)amino]ethyl 2-chlorobenzoate
CID 24661317
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8159698
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,4-difluorobenzoate
CID 2100457
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-phenylbutanoate
CID 16272263

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2097069) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)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-chloro-6-fluorophenyl)acetate?
The InChIKey is ANUNFRBXUOSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O4/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-chloro-6-fluorophenyl)acetate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 377.76 g/mol, XLogP of 2.37, 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-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2097069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).