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

C20H22N4O4 — CID 2100528

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O4/c1-3-24(4-2)15-8-5-13(6-9-15)19(26)28-12-18(25)21-14-7-10-16-17(11-14)23-20(27)22-16/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyIYBZPCHRLAHELB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate (PubChem CID 2100528) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
PubChem CID2100528
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O4/c1-3-24(4-2)15-8-5-13(6-9-15)19(26)28-12-18(25)21-14-7-10-16-17(11-14)23-20(27)22-16/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyIYBZPCHRLAHELB-UHFFFAOYSA-N
XLogP2.50
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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] 4-(diethylamino)benzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate (CID 2100528) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate?
The InChIKey is IYBZPCHRLAHELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-24(4-2)15-8-5-13(6-9-15)19(26)28-12-18(25)21-14-7-10-16-17(11-14)23-20(27)22-16/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H2,22,23,27).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2100528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).