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

C20H19N3O5 — CID 24677733

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H19N3O5/c1-12-2-4-13(5-3-12)17(24)8-9-19(26)28-11-18(25)21-14-6-7-15-16(10-14)23-20(27)22-15/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyJNSOQJHPNQURSG-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.31
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 24677733) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
PubChem CID24677733
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H19N3O5/c1-12-2-4-13(5-3-12)17(24)8-9-19(26)28-11-18(25)21-14-6-7-15-16(10-14)23-20(27)22-15/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyJNSOQJHPNQURSG-UHFFFAOYSA-N
XLogP2.31
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.31
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-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate (CID 24677733) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=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-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is JNSOQJHPNQURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-12-2-4-13(5-3-12)17(24)8-9-19(26)28-11-18(25)21-14-6-7-15-16(10-14)23-20(27)22-15/h2-7,10H,8-9,11H2,1H3,(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-(4-methylphenyl)-4-oxobutanoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 381.39 g/mol, XLogP of 2.31, 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-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 24677733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).