(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H19Cl2N3O3 — CID 156823196

IUPAC(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1c2cc(Cl)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C18H19Cl2N3O3/c1-9-12-7-14(20)13(19)6-10(12)8-23(9)15(24)4-5-18(11-2-3-11)16(25)21-17(26)22-18/h6-7,9,11H,2-5,8H2,1H3,(H2,21,22,25,26)/t9-,18-/m0/s1
InChIKeyUOXSWFRPRZUDSH-YYSFKGJASA-N
MW396.27 g/mol
LogP3.16
Rot. Bonds4

About (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823196) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823196
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1c2cc(Cl)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C18H19Cl2N3O3/c1-9-12-7-14(20)13(19)6-10(12)8-23(9)15(24)4-5-18(11-2-3-11)16(25)21-17(26)22-18/h6-7,9,11H,2-5,8H2,1H3,(H2,21,22,25,26)/t9-,18-/m0/s1
InChIKeyUOXSWFRPRZUDSH-YYSFKGJASA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 156823196) is (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1c2cc(Cl)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is UOXSWFRPRZUDSH-YYSFKGJASA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-9-12-7-14(20)13(19)6-10(12)8-23(9)15(24)4-5-18(11-2-3-11)16(25)21-17(26)22-18/h6-7,9,11H,2-5,8H2,1H3,(H2,21,22,25,26)/t9-,18-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 396.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-[(1S)-5,6-dichloro-1-methyl-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).