1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one

C20H18ClN5O2S — CID 78763612

IUPAC1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCc1cccc(-c2nnc(SCC(=O)N3CCNC3=O)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN5O2S/c1-13-3-2-4-14(11-13)18-23-24-20(26(18)16-7-5-15(21)6-8-16)29-12-17(27)25-10-9-22-19(25)28/h2-8,11H,9-10,12H2,1H3,(H,22,28)
InChIKeyCJHCWYIRAPEPQQ-UHFFFAOYSA-N
MW427.92 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 78763612) has the molecular formula C20H18ClN5O2S and a molecular weight of 427.92 g/mol. Its IUPAC name is 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID78763612
Molecular FormulaC20H18ClN5O2S
Molecular Weight427.92 g/mol
Exact Mass427.09
IUPAC Name1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCc1cccc(-c2nnc(SCC(=O)N3CCNC3=O)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN5O2S/c1-13-3-2-4-14(11-13)18-23-24-20(26(18)16-7-5-15(21)6-8-16)29-12-17(27)25-10-9-22-19(25)28/h2-8,11H,9-10,12H2,1H3,(H,22,28)
InChIKeyCJHCWYIRAPEPQQ-UHFFFAOYSA-N
XLogP3.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 112782255
N-(4-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3625816
N-tert-butyl-2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112782224
1-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 4261220
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 112782226
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 112782231
2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7106691
1-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 2600857
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 4592301
N-(3,5-dichlorophenyl)-2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040397
2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 112782208

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 78763612) is 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one is Cc1cccc(-c2nnc(SCC(=O)N3CCNC3=O)n2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is CJHCWYIRAPEPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2S/c1-13-3-2-4-14(11-13)18-23-24-20(26(18)16-7-5-15(21)6-8-16)29-12-17(27)25-10-9-22-19(25)28/h2-8,11H,9-10,12H2,1H3,(H,22,28).
What are the key properties of 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 427.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 78763612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).