(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione

C25H31N3O3 — CID 102480435

IUPAC(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione
SMILESCCCCN1C(=O)N(CCCC)[C@@]2(C(=O)N(C)c3ccccc32)[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-6-17-27-23(30)28(18-7-5-2)25(31,19-13-9-8-10-14-19)24(27)20-15-11-12-16-21(20)26(3)22(24)29/h8-16,31H,4-7,17-18H2,1-3H3/t24-,25-/m0/s1
InChIKeyFMDUSMKALXQKBU-DQEYMECFSA-N
MW421.54 g/mol
LogP4.04
Rot. Bonds7

About (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione

(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione (PubChem CID 102480435) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione
PubChem CID102480435
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione
SMILESCCCCN1C(=O)N(CCCC)[C@@]2(C(=O)N(C)c3ccccc32)[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-6-17-27-23(30)28(18-7-5-2)25(31,19-13-9-8-10-14-19)24(27)20-15-11-12-16-21(20)26(3)22(24)29/h8-16,31H,4-7,17-18H2,1-3H3/t24-,25-/m0/s1
InChIKeyFMDUSMKALXQKBU-DQEYMECFSA-N
XLogP4.04
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione?
The IUPAC name of (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione (CID 102480435) is (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione.
What is the SMILES notation for (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione?
The canonical SMILES for (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione is CCCCN1C(=O)N(CCCC)[C@@]2(C(=O)N(C)c3ccccc32)[C@@]1(O)c1ccccc1.
What is the InChIKey of (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione?
The InChIKey is FMDUSMKALXQKBU-DQEYMECFSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-6-17-27-23(30)28(18-7-5-2)25(31,19-13-9-8-10-14-19)24(27)20-15-11-12-16-21(20)26(3)22(24)29/h8-16,31H,4-7,17-18H2,1-3H3/t24-,25-/m0/s1.
What are the key properties of (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione?
(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione has a molecular weight of 421.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 102480435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).