(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

C23H23N3O4 — CID 100763322

IUPAC(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C
InChIInChI=1S/C23H23N3O4/c1-14-9-19-20(10-15(14)2)25(13-24-19)11-17(27)12-26-21(28)23(30-22(26)29)8-7-16-5-3-4-6-18(16)23/h3-6,9-10,13,17,27H,7-8,11-12H2,1-2H3/t17-,23-/m1/s1
InChIKeyAVKXJJPNFZBAAI-UZUQRXQVSA-N
MW405.45 g/mol
LogP2.83
Rot. Bonds4

About (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (PubChem CID 100763322) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
PubChem CID100763322
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C
InChIInChI=1S/C23H23N3O4/c1-14-9-19-20(10-15(14)2)25(13-24-19)11-17(27)12-26-21(28)23(30-22(26)29)8-7-16-5-3-4-6-18(16)23/h3-6,9-10,13,17,27H,7-8,11-12H2,1-2H3/t17-,23-/m1/s1
InChIKeyAVKXJJPNFZBAAI-UZUQRXQVSA-N
XLogP2.83
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (CID 100763322) is (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is Cc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C.
What is the InChIKey of (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The InChIKey is AVKXJJPNFZBAAI-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-9-19-20(10-15(14)2)25(13-24-19)11-17(27)12-26-21(28)23(30-22(26)29)8-7-16-5-3-4-6-18(16)23/h3-6,9-10,13,17,27H,7-8,11-12H2,1-2H3/t17-,23-/m1/s1.
What are the key properties of (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
(3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione has a molecular weight of 405.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is sourced from PubChem (CID 100763322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).