(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20N4O2 — CID 52899885

IUPAC(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1c(=O)n(C)c2cc([C@@H]3NCC[C@]34C(=O)Nc3ccccc34)ccc21
InChIInChI=1S/C20H20N4O2/c1-23-15-8-7-12(11-16(15)24(2)19(23)26)17-20(9-10-21-17)13-5-3-4-6-14(13)22-18(20)25/h3-8,11,17,21H,9-10H2,1-2H3,(H,22,25)/t17-,20+/m0/s1
InChIKeyDGPMUVKHRQGELD-FXAWDEMLSA-N
MW348.41 g/mol
LogP1.80
Rot. Bonds1

About (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52899885) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52899885
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1c(=O)n(C)c2cc([C@@H]3NCC[C@]34C(=O)Nc3ccccc34)ccc21
InChIInChI=1S/C20H20N4O2/c1-23-15-8-7-12(11-16(15)24(2)19(23)26)17-20(9-10-21-17)13-5-3-4-6-14(13)22-18(20)25/h3-8,11,17,21H,9-10H2,1-2H3,(H,22,25)/t17-,20+/m0/s1
InChIKeyDGPMUVKHRQGELD-FXAWDEMLSA-N
XLogP1.80
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52899885) is (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1c(=O)n(C)c2cc([C@@H]3NCC[C@]34C(=O)Nc3ccccc34)ccc21.
What is the InChIKey of (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DGPMUVKHRQGELD-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-15-8-7-12(11-16(15)24(2)19(23)26)17-20(9-10-21-17)13-5-3-4-6-14(13)22-18(20)25/h3-8,11,17,21H,9-10H2,1-2H3,(H,22,25)/t17-,20+/m0/s1.
What are the key properties of (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 348.41 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52899885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).