1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one

C14H16N6O2S — CID 7534722

IUPAC1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
SMILESCc1ccc(-n2nnnc2SCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C14H16N6O2S/c1-9-3-4-11(7-10(9)2)20-14(16-17-18-20)23-8-12(21)19-6-5-15-13(19)22/h3-4,7H,5-6,8H2,1-2H3,(H,15,22)
InChIKeyLHKCORLBPMAPDM-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.92
Rot. Bonds4

About 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one

1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one (PubChem CID 7534722) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
PubChem CID7534722
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
SMILESCc1ccc(-n2nnnc2SCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C14H16N6O2S/c1-9-3-4-11(7-10(9)2)20-14(16-17-18-20)23-8-12(21)19-6-5-15-13(19)22/h3-4,7H,5-6,8H2,1-2H3,(H,15,22)
InChIKeyLHKCORLBPMAPDM-UHFFFAOYSA-N
XLogP0.92
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one (CID 7534722) is 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one is Cc1ccc(-n2nnnc2SCC(=O)N2CCNC2=O)cc1C.
What is the InChIKey of 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
The InChIKey is LHKCORLBPMAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-9-3-4-11(7-10(9)2)20-14(16-17-18-20)23-8-12(21)19-6-5-15-13(19)22/h3-4,7H,5-6,8H2,1-2H3,(H,15,22).
What are the key properties of 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one?
1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one has a molecular weight of 332.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 7534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).