1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

C13H13ClN6O2S — CID 8861400

IUPAC1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H13ClN6O2S/c1-8(11(21)19-6-5-15-12(19)22)23-13-16-17-18-20(13)10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,22)/t8-/m1/s1
InChIKeyCEPDRDABMFUPDK-MRVPVSSYSA-N
MW352.81 g/mol
LogP1.35
Rot. Bonds4

About 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 8861400) has the molecular formula C13H13ClN6O2S and a molecular weight of 352.81 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID8861400
Molecular FormulaC13H13ClN6O2S
Molecular Weight352.81 g/mol
Exact Mass352.05
IUPAC Name1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H13ClN6O2S/c1-8(11(21)19-6-5-15-12(19)22)23-13-16-17-18-20(13)10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,22)/t8-/m1/s1
InChIKeyCEPDRDABMFUPDK-MRVPVSSYSA-N
XLogP1.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 8858909
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 8860177
1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8682951
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 17440342
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-cyanophenyl)propanamide
CID 8859328
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 8861400) is 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is CEPDRDABMFUPDK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13ClN6O2S/c1-8(11(21)19-6-5-15-12(19)22)23-13-16-17-18-20(13)10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,22)/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 352.81 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 8861400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).