2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide

C24H27N3OS — CID 4840323

IUPAC2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESCc1ccc(-c2nc(SCC(=O)NC3CCCC3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3OS/c1-16-7-11-18(12-8-16)22-23(19-13-9-17(2)10-14-19)27-24(26-22)29-15-21(28)25-20-5-3-4-6-20/h7-14,20H,3-6,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyAOZYTWCPKNDMON-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.51
Rot. Bonds6

About 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide (PubChem CID 4840323) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
PubChem CID4840323
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESCc1ccc(-c2nc(SCC(=O)NC3CCCC3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3OS/c1-16-7-11-18(12-8-16)22-23(19-13-9-17(2)10-14-19)27-24(26-22)29-15-21(28)25-20-5-3-4-6-20/h7-14,20H,3-6,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyAOZYTWCPKNDMON-UHFFFAOYSA-N
XLogP5.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 6407540
N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135889595
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 98292521
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 66485255
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23804159
4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one
CID 170246190
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 41153324

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide (CID 4840323) is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide is Cc1ccc(-c2nc(SCC(=O)NC3CCCC3)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The InChIKey is AOZYTWCPKNDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-16-7-11-18(12-8-16)22-23(19-13-9-17(2)10-14-19)27-24(26-22)29-15-21(28)25-20-5-3-4-6-20/h7-14,20H,3-6,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide has a molecular weight of 405.57 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 4840323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).