[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate

C17H14FN3O4 — CID 24980718

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H14FN3O4/c18-11-3-1-10(2-4-11)7-16(23)25-9-15(22)19-12-5-6-13-14(8-12)21-17(24)20-13/h1-6,8H,7,9H2,(H,19,22)(H2,20,21,24)
InChIKeyZFFIROCSERMKMX-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.72
Rot. Bonds5

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 24980718) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
PubChem CID24980718
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H14FN3O4/c18-11-3-1-10(2-4-11)7-16(23)25-9-15(22)19-12-5-6-13-14(8-12)21-17(24)20-13/h1-6,8H,7,9H2,(H,19,22)(H2,20,21,24)
InChIKeyZFFIROCSERMKMX-UHFFFAOYSA-N
XLogP1.72
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [4-({[(1,3-dimethyl-2-oxo-6-piperidin-1-yl-2,3-dihydro-1H-benzimidazol-5-yl)amino]carbonyl}amino)phenyl]acetate
CID 15990353
[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] benzoate
CID 8106910
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2097069
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] adamantane-1-carboxylate
CID 24817904
[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] 4-(4-methylphenyl)-4-oxobutanoate
CID 24677733
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 24686598
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2099349
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,4-difluorobenzoate
CID 2100457

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate (CID 24980718) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is ZFFIROCSERMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c18-11-3-1-10(2-4-11)7-16(23)25-9-15(22)19-12-5-6-13-14(8-12)21-17(24)20-13/h1-6,8H,7,9H2,(H,19,22)(H2,20,21,24).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 343.31 g/mol, XLogP of 1.72, 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-(4-fluorophenyl)acetate is sourced from PubChem (CID 24980718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).