1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione

C18H29N5O4S — CID 158438021

IUPAC1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cnc(N2CCCC2)[nH]1
InChIInChI=1S/C18H29N5O4S/c1-14(15-11-19-17(20-15)22-7-4-5-8-22)13-28(26,27)10-6-2-3-9-23-12-16(24)21-18(23)25/h11,14H,2-10,12-13H2,1H3,(H,19,20)(H,21,24,25)
InChIKeyHCLVAQQWLUZWGV-UHFFFAOYSA-N
MW411.53 g/mol
LogP1.25
Rot. Bonds10

About 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione

1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione (PubChem CID 158438021) has the molecular formula C18H29N5O4S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione
PubChem CID158438021
Molecular FormulaC18H29N5O4S
Molecular Weight411.53 g/mol
Exact Mass411.19
IUPAC Name1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cnc(N2CCCC2)[nH]1
InChIInChI=1S/C18H29N5O4S/c1-14(15-11-19-17(20-15)22-7-4-5-8-22)13-28(26,27)10-6-2-3-9-23-12-16(24)21-18(23)25/h11,14H,2-10,12-13H2,1H3,(H,19,20)(H,21,24,25)
InChIKeyHCLVAQQWLUZWGV-UHFFFAOYSA-N
XLogP1.25
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione (CID 158438021) is 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione is CC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cnc(N2CCCC2)[nH]1.
What is the InChIKey of 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is HCLVAQQWLUZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4S/c1-14(15-11-19-17(20-15)22-7-4-5-8-22)13-28(26,27)10-6-2-3-9-23-12-16(24)21-18(23)25/h11,14H,2-10,12-13H2,1H3,(H,19,20)(H,21,24,25).
What are the key properties of 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 411.53 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158438021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).