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

C16H11Cl2N3O4 — CID 24654209

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H11Cl2N3O4/c17-8-1-3-11(18)10(5-8)15(23)25-7-14(22)19-9-2-4-12-13(6-9)21-16(24)20-12/h1-6H,7H2,(H,19,22)(H2,20,21,24)
InChIKeyKXSPQIPMEINBGR-UHFFFAOYSA-N
MW380.19 g/mol
LogP2.96
Rot. Bonds4

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate (PubChem CID 24654209) has the molecular formula C16H11Cl2N3O4 and a molecular weight of 380.19 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate
PubChem CID24654209
Molecular FormulaC16H11Cl2N3O4
Molecular Weight380.19 g/mol
Exact Mass379.01
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H11Cl2N3O4/c17-8-1-3-11(18)10(5-8)15(23)25-7-14(22)19-9-2-4-12-13(6-9)21-16(24)20-12/h1-6H,7H2,(H,19,22)(H2,20,21,24)
InChIKeyKXSPQIPMEINBGR-UHFFFAOYSA-N
XLogP2.96
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 52.96
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] 2,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate (CID 24654209) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate?
The InChIKey is KXSPQIPMEINBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4/c17-8-1-3-11(18)10(5-8)15(23)25-7-14(22)19-9-2-4-12-13(6-9)21-16(24)20-12/h1-6H,7H2,(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] 2,5-dichlorobenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,5-dichlorobenzoate has a molecular weight of 380.19 g/mol, XLogP of 2.96, 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] 2,5-dichlorobenzoate is sourced from PubChem (CID 24654209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).