1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one

C16H23N3O3S — CID 3929920

IUPAC1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILESCCCCN1CCN(c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C16H23N3O3S/c1-3-4-8-17-10-11-18(16(17)20)14-5-6-15-13(12-14)7-9-19(15)23(2,21)22/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyPWWHJXREARADAO-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.05
Rot. Bonds5

About 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one

1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (PubChem CID 3929920) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
PubChem CID3929920
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILESCCCCN1CCN(c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C16H23N3O3S/c1-3-4-8-17-10-11-18(16(17)20)14-5-6-15-13(12-14)7-9-19(15)23(2,21)22/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyPWWHJXREARADAO-UHFFFAOYSA-N
XLogP2.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (CID 3929920) is 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is CCCCN1CCN(c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O.
What is the InChIKey of 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The InChIKey is PWWHJXREARADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-4-8-17-10-11-18(16(17)20)14-5-6-15-13(12-14)7-9-19(15)23(2,21)22/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one has a molecular weight of 337.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 3929920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).