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

C16H12ClN3O4 — CID 24661317

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12ClN3O4/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)
InChIKeyBGRGBPISTPWIEE-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.31
Rot. Bonds4

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate (PubChem CID 24661317) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate
PubChem CID24661317
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12ClN3O4/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)
InChIKeyBGRGBPISTPWIEE-UHFFFAOYSA-N
XLogP2.31
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.31
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] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 24686547
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 24688092
[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] 2-(2,6-dichlorophenyl)acetate
CID 24980355
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 25102408
[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] 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-chlorobenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate (CID 24661317) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate is O=C(COC(=O)c1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate?
The InChIKey is BGRGBPISTPWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/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-chlorobenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-chlorobenzoate has a molecular weight of 345.74 g/mol, XLogP of 2.31, 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-chlorobenzoate is sourced from PubChem (CID 24661317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).