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

C18H17N3O6 — CID 24661375

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N3O6/c1-25-12-5-10(6-13(8-12)26-2)17(23)27-9-16(22)19-11-3-4-14-15(7-11)21-18(24)20-14/h3-8H,9H2,1-2H3,(H,19,22)(H2,20,21,24)
InChIKeyORFPNFHYAUQVLF-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.67
Rot. Bonds6

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate (PubChem CID 24661375) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
PubChem CID24661375
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N3O6/c1-25-12-5-10(6-13(8-12)26-2)17(23)27-9-16(22)19-11-3-4-14-15(7-11)21-18(24)20-14/h3-8H,9H2,1-2H3,(H,19,22)(H2,20,21,24)
InChIKeyORFPNFHYAUQVLF-UHFFFAOYSA-N
XLogP1.67
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-methoxybenzoate
CID 24658441
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
CID 18074969
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
[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-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-butylbenzoate
CID 18123351
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-hydroxy-3-methoxybenzoate
CID 24687138
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518258
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8872463
[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] 3,5-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate (CID 24661375) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate?
The InChIKey is ORFPNFHYAUQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-25-12-5-10(6-13(8-12)26-2)17(23)27-9-16(22)19-11-3-4-14-15(7-11)21-18(24)20-14/h3-8H,9H2,1-2H3,(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] 3,5-dimethoxybenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate has a molecular weight of 371.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 24661375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).