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

C17H13F2N3O5 — CID 24979184

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13F2N3O5/c18-16(19)27-13-4-2-1-3-10(13)15(24)26-8-14(23)20-9-5-6-11-12(7-9)22-17(25)21-11/h1-7,16H,8H2,(H,20,23)(H2,21,22,25)
InChIKeyKMZOUTDRXVOIMH-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.25
Rot. Bonds6

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate (PubChem CID 24979184) has the molecular formula C17H13F2N3O5 and a molecular weight of 377.30 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate
PubChem CID24979184
Molecular FormulaC17H13F2N3O5
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H13F2N3O5/c18-16(19)27-13-4-2-1-3-10(13)15(24)26-8-14(23)20-9-5-6-11-12(7-9)22-17(25)21-11/h1-7,16H,8H2,(H,20,23)(H2,21,22,25)
InChIKeyKMZOUTDRXVOIMH-UHFFFAOYSA-N
XLogP2.25
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate with MolForge

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Related Compounds

2-methoxy-N-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamothioyl]benzamide
CID 713343
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 2387668
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 2397909
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
CID 15990296
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate
CID 24662010
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 24671337
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 24982272
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
CID 127045294
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] benzoate
CID 8106910
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2540697
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-methoxy-benzamide
CID 6458480
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate
CID 9453313

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate (CID 24979184) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccccc1OC(F)F)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is KMZOUTDRXVOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O5/c18-16(19)27-13-4-2-1-3-10(13)15(24)26-8-14(23)20-9-5-6-11-12(7-9)22-17(25)21-11/h1-7,16H,8H2,(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] 2-(difluoromethoxy)benzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 377.30 g/mol, XLogP of 2.25, 6 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] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 24979184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).