1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one

C14H22N4O2S — CID 51330192

IUPAC1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCCCCn1c(SCC(=O)N2CCNC2=O)nc(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-4-5-7-17-11(3)10(2)16-14(17)21-9-12(19)18-8-6-15-13(18)20/h4-9H2,1-3H3,(H,15,20)
InChIKeyCICAFWSSEIGULX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.94
Rot. Bonds6

About 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one

1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 51330192) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
PubChem CID51330192
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCCCCn1c(SCC(=O)N2CCNC2=O)nc(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-4-5-7-17-11(3)10(2)16-14(17)21-9-12(19)18-8-6-15-13(18)20/h4-9H2,1-3H3,(H,15,20)
InChIKeyCICAFWSSEIGULX-UHFFFAOYSA-N
XLogP1.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one (CID 51330192) is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one is CCCCn1c(SCC(=O)N2CCNC2=O)nc(C)c1C.
What is the InChIKey of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is CICAFWSSEIGULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-5-7-17-11(3)10(2)16-14(17)21-9-12(19)18-8-6-15-13(18)20/h4-9H2,1-3H3,(H,15,20).
What are the key properties of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 51330192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).