(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C27H23N3O3 — CID 41061049

IUPAC(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3c[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C27H23N3O3/c1-17-12-13-20(14-18(17)2)27(19-8-4-3-5-9-19)25(32)30(26(33)29-27)16-24(31)22-15-28-23-11-7-6-10-21(22)23/h3-15,28H,16H2,1-2H3,(H,29,33)/t27-/m0/s1
InChIKeyDZFRFSQRQBLKCK-MHZLTWQESA-N
MW437.50 g/mol
LogP4.46
Rot. Bonds5

About (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41061049) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID41061049
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3c[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C27H23N3O3/c1-17-12-13-20(14-18(17)2)27(19-8-4-3-5-9-19)25(32)30(26(33)29-27)16-24(31)22-15-28-23-11-7-6-10-21(22)23/h3-15,28H,16H2,1-2H3,(H,29,33)/t27-/m0/s1
InChIKeyDZFRFSQRQBLKCK-MHZLTWQESA-N
XLogP4.46
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 154775292
(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 78764209
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 42921307
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 41061049) is (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3c[nH]c4ccccc34)C2=O)cc1C.
What is the InChIKey of (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is DZFRFSQRQBLKCK-MHZLTWQESA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17-12-13-20(14-18(17)2)27(19-8-4-3-5-9-19)25(32)30(26(33)29-27)16-24(31)22-15-28-23-11-7-6-10-21(22)23/h3-15,28H,16H2,1-2H3,(H,29,33)/t27-/m0/s1.
What are the key properties of (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41061049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).