[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate

C19H17N3O4 — CID 38624577

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H17N3O4/c1-11(17(23)22-9-8-20-19(22)25)26-18(24)16-10-14-13-5-3-2-4-12(13)6-7-15(14)21-16/h2-7,10-11,21H,8-9H2,1H3,(H,20,25)/t11-/m1/s1
InChIKeyGKRJXQJIGHUAEL-LLVKDONJSA-N
MW351.36 g/mol
LogP2.42
Rot. Bonds3

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate (PubChem CID 38624577) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
PubChem CID38624577
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H17N3O4/c1-11(17(23)22-9-8-20-19(22)25)26-18(24)16-10-14-13-5-3-2-4-12(13)6-7-15(14)21-16/h2-7,10-11,21H,8-9H2,1H3,(H,20,25)/t11-/m1/s1
InChIKeyGKRJXQJIGHUAEL-LLVKDONJSA-N
XLogP2.42
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639256
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate
CID 18090773
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 17396566
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate
CID 71898497
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507116
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate (CID 38624577) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate is C[C@@H](OC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The InChIKey is GKRJXQJIGHUAEL-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(17(23)22-9-8-20-19(22)25)26-18(24)16-10-14-13-5-3-2-4-12(13)6-7-15(14)21-16/h2-7,10-11,21H,8-9H2,1H3,(H,20,25)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate is sourced from PubChem (CID 38624577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).