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

C19H19N3O5 — CID 18074969

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H19N3O5/c1-2-9-26-14-6-3-12(4-7-14)18(24)27-11-17(23)20-13-5-8-15-16(10-13)22-19(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyUXFCMAAEPMPXLX-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.44
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate (PubChem CID 18074969) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
PubChem CID18074969
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H19N3O5/c1-2-9-26-14-6-3-12(4-7-14)18(24)27-11-17(23)20-13-5-8-15-16(10-13)22-19(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyUXFCMAAEPMPXLX-UHFFFAOYSA-N
XLogP2.44
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-butylbenzoate
CID 18123351
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
CID 24661375
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-methoxybenzoate
CID 24658441
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-propoxybenzoate
CID 7211967
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-pentoxybenzoate
CID 2605671
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate (CID 18074969) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate is CCCOc1ccc(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-propoxybenzoate?
The InChIKey is UXFCMAAEPMPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-9-26-14-6-3-12(4-7-14)18(24)27-11-17(23)20-13-5-8-15-16(10-13)22-19(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,23)(H2,21,22,25).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate has a molecular weight of 369.38 g/mol, XLogP of 2.44, 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-propoxybenzoate is sourced from PubChem (CID 18074969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).