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

C19H18N4O5 — CID 24979914

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O5/c1-11-2-4-12(5-3-11)18(26)20-9-17(25)28-10-16(24)21-13-6-7-14-15(8-13)23-19(27)22-14/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27)
InChIKeyHKHFRCWGRPFLFL-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.08
Rot. Bonds6

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 24979914) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate
PubChem CID24979914
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O5/c1-11-2-4-12(5-3-11)18(26)20-9-17(25)28-10-16(24)21-13-6-7-14-15(8-13)23-19(27)22-14/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27)
InChIKeyHKHFRCWGRPFLFL-UHFFFAOYSA-N
XLogP1.08
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.08
H-Bond Donors ≤ 54
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] 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate (CID 24979914) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=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] 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is HKHFRCWGRPFLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-11-2-4-12(5-3-11)18(26)20-9-17(25)28-10-16(24)21-13-6-7-14-15(8-13)23-19(27)22-14/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 382.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 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] 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 24979914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).