[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate

C16H12FN3O4 — CID 24661321

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12FN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyRDPFXCMLMBBMNG-UHFFFAOYSA-N
MW329.29 g/mol
LogP1.79
Rot. Bonds4

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate (PubChem CID 24661321) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate
PubChem CID24661321
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12FN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyRDPFXCMLMBBMNG-UHFFFAOYSA-N
XLogP1.79
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
CID 2100528
[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] 3-bromobenzoate
CID 24671767
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate
CID 24979184
[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-(4-fluorophenyl)acetate
CID 24980718
4-Fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] ester
CID 25102434
[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] 3-chlorobenzoate
CID 24983170
[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] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2540697
2-Oxo-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)amino]ethyl 2-chlorobenzoate
CID 24661317

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate (CID 24661321) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate?
The InChIKey is RDPFXCMLMBBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate has a molecular weight of 329.29 g/mol, XLogP of 1.79, 4 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-fluorobenzoate is sourced from PubChem (CID 24661321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).