4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide

C25H24N4OS — CID 54340292

IUPAC4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C25H24N4OS/c1-18-14-15-26-21(17-18)27-22(30)13-8-16-31-25-28-23(19-9-4-2-5-10-19)24(29-25)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyTYLGYZNAVVGBBE-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.96
Rot. Bonds8

About 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide

4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 54340292) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID54340292
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C25H24N4OS/c1-18-14-15-26-21(17-18)27-22(30)13-8-16-31-25-28-23(19-9-4-2-5-10-19)24(29-25)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyTYLGYZNAVVGBBE-UHFFFAOYSA-N
XLogP5.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
CID 23861371
N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23804159
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23973205
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23745934
1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 67920634
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23832975

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide (CID 54340292) is 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide is Cc1ccnc(NC(=O)CCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is TYLGYZNAVVGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-18-14-15-26-21(17-18)27-22(30)13-8-16-31-25-28-23(19-9-4-2-5-10-19)24(29-25)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,28,29)(H,26,27,30).
What are the key properties of 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide?
4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide has a molecular weight of 428.56 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 54340292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).