(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione

C16H17N3O2 — CID 164638238

IUPAC(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione
SMILESCc1cc2cc[nH]c2cc1N1C(=O)[C@H](C)N(C2CC2)C1=O
InChIInChI=1S/C16H17N3O2/c1-9-7-11-5-6-17-13(11)8-14(9)19-15(20)10(2)18(16(19)21)12-3-4-12/h5-8,10,12,17H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyWYHPSBUTOGDSNJ-JTQLQIEISA-N
MW283.33 g/mol
LogP2.80
Rot. Bonds2

About (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione

(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione (PubChem CID 164638238) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione
PubChem CID164638238
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione
SMILESCc1cc2cc[nH]c2cc1N1C(=O)[C@H](C)N(C2CC2)C1=O
InChIInChI=1S/C16H17N3O2/c1-9-7-11-5-6-17-13(11)8-14(9)19-15(20)10(2)18(16(19)21)12-3-4-12/h5-8,10,12,17H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyWYHPSBUTOGDSNJ-JTQLQIEISA-N
XLogP2.80
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 99779502
1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 86820034
(5-methyl-1H-indol-6-yl)boronic acid
CID 119085181
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
5-ethyl-6-methyl-1H-indole;molecular hydrogen
CID 163372322
2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 69367085
1-methyl-N-(5-methyl-1H-indol-6-yl)-6-oxopiperidine-2-carboxamide
CID 146133051
5-ethyl-6-methyl-1H-indole
CID 89488982
3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
CID 106252596
(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
CID 175732870
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
hydron;6-methyl-1H-indole
CID 174894355

Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione (CID 164638238) is (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione is Cc1cc2cc[nH]c2cc1N1C(=O)[C@H](C)N(C2CC2)C1=O.
What is the InChIKey of (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione?
The InChIKey is WYHPSBUTOGDSNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-7-11-5-6-17-13(11)8-14(9)19-15(20)10(2)18(16(19)21)12-3-4-12/h5-8,10,12,17H,3-4H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione?
(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 164638238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).