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

C19H16FN3O5 — CID 24980237

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H16FN3O5/c20-12-3-1-11(2-4-12)16(24)7-8-18(26)28-10-17(25)21-13-5-6-14-15(9-13)23-19(27)22-14/h1-6,9H,7-8,10H2,(H,21,25)(H2,22,23,27)
InChIKeyDWDRKXPHAFKKBH-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.14
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 24980237) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID24980237
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H16FN3O5/c20-12-3-1-11(2-4-12)16(24)7-8-18(26)28-10-17(25)21-13-5-6-14-15(9-13)23-19(27)22-14/h1-6,9H,7-8,10H2,(H,21,25)(H2,22,23,27)
InChIKeyDWDRKXPHAFKKBH-UHFFFAOYSA-N
XLogP2.14
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
CID 24980718
[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] 2-(2-chloro-6-fluorophenyl)acetate
CID 2097069
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8159698
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 24677733
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 24686598
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 24979914
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2099349
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,4-difluorobenzoate
CID 2100457
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2388395
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 4288693

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 24980237) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is DWDRKXPHAFKKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5/c20-12-3-1-11(2-4-12)16(24)7-8-18(26)28-10-17(25)21-13-5-6-14-15(9-13)23-19(27)22-14/h1-6,9H,7-8,10H2,(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-fluorophenyl)-4-oxobutanoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 385.35 g/mol, XLogP of 2.14, 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-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 24980237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).