2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C23H23N5OS — CID 30526445

IUPAC2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H23N5OS/c1-18-5-2-3-6-21(18)27-16-14-25-23(27)30-17-22(29)24-13-11-19-7-9-20(10-8-19)28-15-4-12-26-28/h2-10,12,14-16H,11,13,17H2,1H3,(H,24,29)
InChIKeyGCNUPGZQRLWJLM-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.82
Rot. Bonds8

About 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 30526445) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID30526445
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H23N5OS/c1-18-5-2-3-6-21(18)27-16-14-25-23(27)30-17-22(29)24-13-11-19-7-9-20(10-8-19)28-15-4-12-26-28/h2-10,12,14-16H,11,13,17H2,1H3,(H,24,29)
InChIKeyGCNUPGZQRLWJLM-UHFFFAOYSA-N
XLogP3.82
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24597794
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 47773497
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 30526445) is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is Cc1ccccc1-n1ccnc1SCC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is GCNUPGZQRLWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-18-5-2-3-6-21(18)27-16-14-25-23(27)30-17-22(29)24-13-11-19-7-9-20(10-8-19)28-15-4-12-26-28/h2-10,12,14-16H,11,13,17H2,1H3,(H,24,29).
What are the key properties of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 30526445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).