1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one

C12H11ClN6O2S — CID 7856848

IUPAC1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCNC1=O
InChIInChI=1S/C12H11ClN6O2S/c13-8-1-3-9(4-2-8)19-12(15-16-17-19)22-7-10(20)18-6-5-14-11(18)21/h1-4H,5-7H2,(H,14,21)
InChIKeyGOBRZMUYWKZWHR-UHFFFAOYSA-N
MW338.78 g/mol
LogP0.96
Rot. Bonds4

About 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one

1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one (PubChem CID 7856848) has the molecular formula C12H11ClN6O2S and a molecular weight of 338.78 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
PubChem CID7856848
Molecular FormulaC12H11ClN6O2S
Molecular Weight338.78 g/mol
Exact Mass338.04
IUPAC Name1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCNC1=O
InChIInChI=1S/C12H11ClN6O2S/c13-8-1-3-9(4-2-8)19-12(15-16-17-19)22-7-10(20)18-6-5-14-11(18)21/h1-4H,5-7H2,(H,14,21)
InChIKeyGOBRZMUYWKZWHR-UHFFFAOYSA-N
XLogP0.96
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.78
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one (CID 7856848) is 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one is O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCNC1=O.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The InChIKey is GOBRZMUYWKZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O2S/c13-8-1-3-9(4-2-8)19-12(15-16-17-19)22-7-10(20)18-6-5-14-11(18)21/h1-4H,5-7H2,(H,14,21).
What are the key properties of 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one has a molecular weight of 338.78 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 7856848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).