1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

C22H22N4O2S — CID 40675754

IUPAC1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(S[C@H](C)C(=O)N3CCNC3=O)n2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-8-10-17(11-9-15)19-14-24-22(26(19)18-6-4-3-5-7-18)29-16(2)20(27)25-13-12-23-21(25)28/h3-11,14,16H,12-13H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyHDBSCYGHFJKIBC-MRXNPFEDSA-N
MW406.51 g/mol
LogP3.88
Rot. Bonds5

About 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 40675754) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID40675754
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(S[C@H](C)C(=O)N3CCNC3=O)n2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-8-10-17(11-9-15)19-14-24-22(26(19)18-6-4-3-5-7-18)29-16(2)20(27)25-13-12-23-21(25)28/h3-11,14,16H,12-13H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyHDBSCYGHFJKIBC-MRXNPFEDSA-N
XLogP3.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
1-[(2R)-2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 41208142
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
1-[2-[[5-(4-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 74594246
1-[(2R)-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 32994364
1-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091997
1-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 55419682
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
1-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091672
5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136826351
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
1-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 46692867

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 40675754) is 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is Cc1ccc(-c2cnc(S[C@H](C)C(=O)N3CCNC3=O)n2-c2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is HDBSCYGHFJKIBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-8-10-17(11-9-15)19-14-24-22(26(19)18-6-4-3-5-7-18)29-16(2)20(27)25-13-12-23-21(25)28/h3-11,14,16H,12-13H2,1-2H3,(H,23,28)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 40675754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).