N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide

C28H37N3OS — CID 5099566

IUPACN-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C28H37N3OS/c1-2-3-4-5-6-7-14-20-25(32)29-21-15-22-33-28-30-26(23-16-10-8-11-17-23)27(31-28)24-18-12-9-13-19-24/h8-13,16-19H,2-7,14-15,20-22H2,1H3,(H,29,32)(H,30,31)
InChIKeyUDVIOGNILHLGCN-UHFFFAOYSA-N
MW463.69 g/mol
LogP7.48
Rot. Bonds15

About N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide

N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide (PubChem CID 5099566) has the molecular formula C28H37N3OS and a molecular weight of 463.69 g/mol. Its IUPAC name is N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide.

Molecular Properties

Compound NameN-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
PubChem CID5099566
Molecular FormulaC28H37N3OS
Molecular Weight463.69 g/mol
Exact Mass463.27
IUPAC NameN-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C28H37N3OS/c1-2-3-4-5-6-7-14-20-25(32)29-21-15-22-33-28-30-26(23-16-10-8-11-17-23)27(31-28)24-18-12-9-13-19-24/h8-13,16-19H,2-7,14-15,20-22H2,1H3,(H,29,32)(H,30,31)
InChIKeyUDVIOGNILHLGCN-UHFFFAOYSA-N
XLogP7.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide
CID 10432968
N-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]heptan-1-amine
CID 10408288
[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
CID 142655134
N-hexyl-4-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 137310422
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-(4-phenylphenyl)urea
CID 10100542
N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135
4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 54340292
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10482427
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
3-(4-cyanophenyl)-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptylurea
CID 19021734
1-(2,4-difluorophenyl)-3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]urea
CID 10345554

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide?
The IUPAC name of N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide (CID 5099566) is N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide.
What is the SMILES notation for N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide?
The canonical SMILES for N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide is CCCCCCCCCC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide?
The InChIKey is UDVIOGNILHLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3OS/c1-2-3-4-5-6-7-14-20-25(32)29-21-15-22-33-28-30-26(23-16-10-8-11-17-23)27(31-28)24-18-12-9-13-19-24/h8-13,16-19H,2-7,14-15,20-22H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide?
N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide has a molecular weight of 463.69 g/mol, XLogP of 7.48, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide is sourced from PubChem (CID 5099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).